----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:24:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.927607500514680 0.000000000000000 0.000000000000000 b 0.000000000000000 8.604517700000002 0.000000000000000 c -2.656939818633888 0.000000000000000 14.931691573005706 Atomic positions (fractional): *1 Na 0.03697401002615 0.97912242392846 0.61785564703049 22.990 2 Na 0.96302598997385 0.47912242392846 0.88214435296951 22.990 3 Na 0.96302598997385 0.02087757607154 0.38214435296951 22.990 4 Na 0.03697401002615 0.52087757607154 0.11785564703049 22.990 *5 Nb 0.55075013332628 0.20639314424999 0.01934148617514 92.906 6 Nb 0.44924986667372 0.79360685575001 0.98065851382486 92.906 7 Nb 0.44924986667372 0.70639314424999 0.48065851382486 92.906 8 Nb 0.55075013332628 0.29360685575001 0.51934148617514 92.906 *9 Nb 0.95249248653988 0.42799514198254 0.36023994078813 92.906 10 Nb 0.95249248653988 0.07200485801746 0.86023994078813 92.906 11 Nb 0.04750751346012 0.92799514198254 0.13976005921187 92.906 12 Nb 0.04750751346012 0.57200485801746 0.63976005921187 92.906 *13 As 0.38857905707229 0.26143846826806 0.73441666527684 74.922 14 As 0.61142094292771 0.76143846826806 0.76558333472316 74.922 15 As 0.38857905707229 0.23856153173194 0.23441666527684 74.922 16 As 0.61142094292771 0.73856153173194 0.26558333472316 74.922 *17 O 0.72688896289204 0.37648965505052 0.99577859833115 15.999 *18 O 0.27294311173822 0.44370256736582 0.74717542455311 15.999 *19 O 0.82771158580223 0.62133779027974 0.74273742248277 15.999 20 O 0.82771158580223 0.87866220972026 0.24273742248277 15.999 *21 O 0.31678996663971 0.95598205319359 0.06146419809770 15.999 *22 O 0.84835661357388 0.11021447882572 0.10951310666102 15.999 23 O 0.27311103710795 0.62351034494948 0.00422140166885 15.999 *24 O 0.19616777750252 0.28454840116753 0.43249433209116 15.999 25 O 0.15164338642612 0.88978552117428 0.89048689333899 15.999 26 O 0.17228841419777 0.12133779027974 0.75726257751723 15.999 *27 O 0.29750287432058 0.75569566448952 0.70085524441244 15.999 *28 O 0.39397805392100 0.21666188581786 0.62487428148280 15.999 29 O 0.72688896289204 0.12351034494948 0.49577859833115 15.999 30 O 0.84835661357388 0.38978552117428 0.60951310666101 15.999 31 O 0.31678996663971 0.54401794680641 0.56146419809770 15.999 32 O 0.80383222249748 0.78454840116753 0.06750566790884 15.999 33 O 0.80383222249748 0.71545159883247 0.56750566790884 15.999 34 O 0.60602194607900 0.78333811418214 0.37512571851720 15.999 35 O 0.70249712567942 0.24430433551048 0.29914475558756 15.999 36 O 0.27294311173822 0.05629743263418 0.24717542455311 15.999 37 O 0.72705688826178 0.94370256736582 0.75282457544689 15.999 38 O 0.27311103710795 0.87648965505052 0.50422140166885 15.999 39 O 0.72705688826178 0.55629743263418 0.25282457544689 15.999 40 O 0.29750287432058 0.74430433551048 0.20085524441244 15.999 41 O 0.39397805392100 0.28333811418214 0.12487428148280 15.999 42 O 0.17228841419777 0.37866220972026 0.25726257751723 15.999 43 O 0.19616777750252 0.21545159883247 0.93249433209116 15.999 44 O 0.68321003336029 0.45598205319359 0.43853580190230 15.999 45 O 0.68321003336029 0.04401794680641 0.93853580190230 15.999 46 O 0.70249712567942 0.25569566448952 0.79914475558756 15.999 47 O 0.60602194607900 0.71666188581786 0.87512571851720 15.999 48 O 0.15164338642612 0.61021447882572 0.39048689333899 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.927607500514680 0.000000000000000 0.000000000000000 b 0.000000000000000 8.604517700000002 0.000000000000000 c -2.656939818633888 0.000000000000000 14.931691573005706 Atomic positions (fractional): *1 Na 0.03697401002615 0.97912242392846 0.61785564703049 22.990 > 1 2 Na 0.96302598997385 0.47912242392846 0.88214435296951 22.990 > 2 3 Na 0.96302598997385 0.02087757607154 0.38214435296951 22.990 > 3 4 Na 0.03697401002615 0.52087757607154 0.11785564703049 22.990 > 4 *5 Nb 0.55075013332628 0.20639314424999 0.01934148617514 92.906 > 5 6 Nb 0.44924986667372 0.79360685575001 0.98065851382486 92.906 > 6 7 Nb 0.44924986667372 0.70639314424999 0.48065851382486 92.906 > 7 8 Nb 0.55075013332628 0.29360685575001 0.51934148617514 92.906 > 8 *9 Nb 0.95249248653988 0.42799514198254 0.36023994078813 92.906 > 9 10 Nb 0.95249248653988 0.07200485801746 0.86023994078813 92.906 > 10 11 Nb 0.04750751346012 0.92799514198254 0.13976005921187 92.906 > 11 12 Nb 0.04750751346012 0.57200485801746 0.63976005921187 92.906 > 12 *13 As 0.38857905707229 0.26143846826806 0.73441666527684 74.922 > 13 14 As 0.61142094292771 0.76143846826806 0.76558333472316 74.922 > 14 15 As 0.38857905707229 0.23856153173194 0.23441666527684 74.922 > 15 16 As 0.61142094292771 0.73856153173194 0.26558333472316 74.922 > 16 *17 O 0.72688896289204 0.37648965505052 0.99577859833115 15.999 > 17 *18 O 0.27294311173822 0.44370256736582 0.74717542455311 15.999 > 18 *19 O 0.82771158580223 0.62133779027974 0.74273742248277 15.999 > 19 20 O 0.82771158580223 0.87866220972026 0.24273742248277 15.999 > 20 *21 O 0.31678996663971 0.95598205319359 0.06146419809770 15.999 > 21 *22 O 0.84835661357388 0.11021447882572 0.10951310666102 15.999 > 22 23 O 0.27311103710795 0.62351034494948 0.00422140166885 15.999 > 23 *24 O 0.19616777750252 0.28454840116753 0.43249433209116 15.999 > 24 25 O 0.15164338642612 0.88978552117428 0.89048689333899 15.999 > 25 26 O 0.17228841419777 0.12133779027974 0.75726257751723 15.999 > 26 *27 O 0.29750287432058 0.75569566448952 0.70085524441244 15.999 > 27 *28 O 0.39397805392100 0.21666188581786 0.62487428148280 15.999 > 28 29 O 0.72688896289204 0.12351034494948 0.49577859833115 15.999 > 29 30 O 0.84835661357388 0.38978552117428 0.60951310666101 15.999 > 30 31 O 0.31678996663971 0.54401794680641 0.56146419809770 15.999 > 31 32 O 0.80383222249748 0.78454840116753 0.06750566790884 15.999 > 32 33 O 0.80383222249748 0.71545159883247 0.56750566790884 15.999 > 33 34 O 0.60602194607900 0.78333811418214 0.37512571851720 15.999 > 34 35 O 0.70249712567942 0.24430433551048 0.29914475558756 15.999 > 35 36 O 0.27294311173822 0.05629743263418 0.24717542455311 15.999 > 36 37 O 0.72705688826178 0.94370256736582 0.75282457544689 15.999 > 37 38 O 0.27311103710795 0.87648965505052 0.50422140166885 15.999 > 38 39 O 0.72705688826178 0.55629743263418 0.25282457544689 15.999 > 39 40 O 0.29750287432058 0.74430433551048 0.20085524441244 15.999 > 40 41 O 0.39397805392100 0.28333811418214 0.12487428148280 15.999 > 41 42 O 0.17228841419777 0.37866220972026 0.25726257751723 15.999 > 42 43 O 0.19616777750252 0.21545159883247 0.93249433209116 15.999 > 43 44 O 0.68321003336029 0.45598205319359 0.43853580190230 15.999 > 44 45 O 0.68321003336029 0.04401794680641 0.93853580190230 15.999 > 45 46 O 0.70249712567942 0.25569566448952 0.79914475558756 15.999 > 46 47 O 0.60602194607900 0.71666188581786 0.87512571851720 15.999 > 47 48 O 0.15164338642612 0.61021447882572 0.39048689333899 15.999 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.855215001029361 0.000000000000000 0.000000000000000 b 0.000000000000000 8.604517700000002 0.000000000000000 c -2.656939818633888 0.000000000000000 14.931691573005706 Atomic positions (fractional): *1 Na 0.01848700501308 0.97912242392846 0.61785564703049 22.990 > 1 2 Na 0.51848700501308 0.97912242392846 0.61785564703049 22.990 > 1 3 Na 0.48151299498692 0.47912242392846 0.88214435296951 22.990 > 2 4 Na 0.98151299498692 0.47912242392846 0.88214435296951 22.990 > 2 5 Na 0.48151299498692 0.02087757607154 0.38214435296951 22.990 > 3 6 Na 0.98151299498692 0.02087757607154 0.38214435296951 22.990 > 3 7 Na 0.01848700501308 0.52087757607154 0.11785564703049 22.990 > 4 8 Na 0.51848700501308 0.52087757607154 0.11785564703049 22.990 > 4 *9 Nb 0.27537506666314 0.20639314424999 0.01934148617514 92.906 > 5 10 Nb 0.77537506666314 0.20639314424999 0.01934148617514 92.906 > 5 11 Nb 0.22462493333686 0.79360685575001 0.98065851382486 92.906 > 6 12 Nb 0.72462493333686 0.79360685575001 0.98065851382486 92.906 > 6 13 Nb 0.22462493333686 0.70639314424999 0.48065851382486 92.906 > 7 14 Nb 0.72462493333686 0.70639314424999 0.48065851382486 92.906 > 7 15 Nb 0.27537506666314 0.29360685575001 0.51934148617514 92.906 > 8 16 Nb 0.77537506666314 0.29360685575001 0.51934148617514 92.906 > 8 *17 Nb 0.47624624326994 0.42799514198254 0.36023994078813 92.906 > 9 18 Nb 0.97624624326994 0.42799514198254 0.36023994078813 92.906 > 9 19 Nb 0.47624624326994 0.07200485801746 0.86023994078813 92.906 > 10 20 Nb 0.97624624326994 0.07200485801746 0.86023994078813 92.906 > 10 21 Nb 0.02375375673006 0.92799514198254 0.13976005921187 92.906 > 11 22 Nb 0.52375375673006 0.92799514198254 0.13976005921187 92.906 > 11 23 Nb 0.02375375673006 0.57200485801746 0.63976005921187 92.906 > 12 24 Nb 0.52375375673006 0.57200485801746 0.63976005921187 92.906 > 12 *25 As 0.19428952853615 0.26143846826806 0.73441666527684 74.922 > 13 26 As 0.69428952853615 0.26143846826806 0.73441666527684 74.922 > 13 27 As 0.30571047146385 0.76143846826806 0.76558333472316 74.922 > 14 28 As 0.80571047146385 0.76143846826806 0.76558333472316 74.922 > 14 29 As 0.19428952853615 0.23856153173194 0.23441666527684 74.922 > 15 30 As 0.69428952853615 0.23856153173194 0.23441666527684 74.922 > 15 31 As 0.30571047146385 0.73856153173194 0.26558333472316 74.922 > 16 32 As 0.80571047146385 0.73856153173194 0.26558333472316 74.922 > 16 *33 O 0.36344448144602 0.37648965505052 0.99577859833115 15.999 > 17 34 O 0.86344448144602 0.37648965505052 0.99577859833115 15.999 > 17 *35 O 0.13647155586911 0.44370256736582 0.74717542455311 15.999 > 18 36 O 0.63647155586911 0.44370256736582 0.74717542455311 15.999 > 18 *37 O 0.41385579290112 0.62133779027974 0.74273742248277 15.999 > 19 38 O 0.91385579290112 0.62133779027974 0.74273742248277 15.999 > 19 39 O 0.41385579290112 0.87866220972026 0.24273742248277 15.999 > 20 40 O 0.91385579290112 0.87866220972026 0.24273742248277 15.999 > 20 *41 O 0.15839498331985 0.95598205319359 0.06146419809770 15.999 > 21 42 O 0.65839498331985 0.95598205319359 0.06146419809770 15.999 > 21 *43 O 0.42417830678694 0.11021447882572 0.10951310666102 15.999 > 22 44 O 0.92417830678694 0.11021447882572 0.10951310666102 15.999 > 22 45 O 0.13655551855398 0.62351034494948 0.00422140166885 15.999 > 23 46 O 0.63655551855398 0.62351034494948 0.00422140166885 15.999 > 23 *47 O 0.09808388875126 0.28454840116753 0.43249433209116 15.999 > 24 48 O 0.59808388875126 0.28454840116753 0.43249433209116 15.999 > 24 49 O 0.07582169321306 0.88978552117428 0.89048689333899 15.999 > 25 50 O 0.57582169321306 0.88978552117428 0.89048689333899 15.999 > 25 51 O 0.08614420709888 0.12133779027974 0.75726257751723 15.999 > 26 52 O 0.58614420709888 0.12133779027974 0.75726257751723 15.999 > 26 *53 O 0.14875143716029 0.75569566448952 0.70085524441244 15.999 > 27 54 O 0.64875143716029 0.75569566448952 0.70085524441244 15.999 > 27 *55 O 0.19698902696050 0.21666188581786 0.62487428148280 15.999 > 28 56 O 0.69698902696050 0.21666188581786 0.62487428148280 15.999 > 28 57 O 0.36344448144602 0.12351034494948 0.49577859833115 15.999 > 29 58 O 0.86344448144602 0.12351034494948 0.49577859833115 15.999 > 29 59 O 0.42417830678694 0.38978552117428 0.60951310666101 15.999 > 30 60 O 0.92417830678694 0.38978552117428 0.60951310666101 15.999 > 30 61 O 0.15839498331985 0.54401794680641 0.56146419809770 15.999 > 31 62 O 0.65839498331985 0.54401794680641 0.56146419809770 15.999 > 31 63 O 0.40191611124874 0.78454840116753 0.06750566790884 15.999 > 32 64 O 0.90191611124874 0.78454840116753 0.06750566790884 15.999 > 32 65 O 0.40191611124874 0.71545159883247 0.56750566790884 15.999 > 33 66 O 0.90191611124874 0.71545159883247 0.56750566790884 15.999 > 33 67 O 0.30301097303950 0.78333811418214 0.37512571851720 15.999 > 34 68 O 0.80301097303950 0.78333811418214 0.37512571851720 15.999 > 34 69 O 0.35124856283971 0.24430433551048 0.29914475558756 15.999 > 35 70 O 0.85124856283971 0.24430433551048 0.29914475558756 15.999 > 35 71 O 0.13647155586911 0.05629743263418 0.24717542455311 15.999 > 36 72 O 0.63647155586911 0.05629743263418 0.24717542455311 15.999 > 36 73 O 0.36352844413089 0.94370256736582 0.75282457544689 15.999 > 37 74 O 0.86352844413089 0.94370256736582 0.75282457544689 15.999 > 37 75 O 0.13655551855398 0.87648965505052 0.50422140166885 15.999 > 38 76 O 0.63655551855398 0.87648965505052 0.50422140166885 15.999 > 38 77 O 0.36352844413089 0.55629743263418 0.25282457544689 15.999 > 39 78 O 0.86352844413089 0.55629743263418 0.25282457544689 15.999 > 39 79 O 0.14875143716029 0.74430433551048 0.20085524441244 15.999 > 40 80 O 0.64875143716029 0.74430433551048 0.20085524441244 15.999 > 40 81 O 0.19698902696050 0.28333811418214 0.12487428148280 15.999 > 41 82 O 0.69698902696050 0.28333811418214 0.12487428148280 15.999 > 41 83 O 0.08614420709888 0.37866220972026 0.25726257751723 15.999 > 42 84 O 0.58614420709888 0.37866220972026 0.25726257751723 15.999 > 42 85 O 0.09808388875126 0.21545159883247 0.93249433209116 15.999 > 43 86 O 0.59808388875126 0.21545159883247 0.93249433209116 15.999 > 43 87 O 0.34160501668015 0.45598205319359 0.43853580190230 15.999 > 44 88 O 0.84160501668015 0.45598205319359 0.43853580190230 15.999 > 44 89 O 0.34160501668015 0.04401794680641 0.93853580190230 15.999 > 45 90 O 0.84160501668015 0.04401794680641 0.93853580190230 15.999 > 45 91 O 0.35124856283971 0.25569566448952 0.79914475558756 15.999 > 46 92 O 0.85124856283971 0.25569566448952 0.79914475558756 15.999 > 46 93 O 0.30301097303950 0.71666188581786 0.87512571851720 15.999 > 47 94 O 0.80301097303950 0.71666188581786 0.87512571851720 15.999 > 47 95 O 0.07582169321306 0.61021447882572 0.39048689333899 15.999 > 48 96 O 0.57582169321306 0.61021447882572 0.39048689333899 15.999 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7912431 0.0000000 0.1178881 0.0000000 3.9183354 0.0000000 0.1178899 0.0000000 4.4367791 -------------------------- Born effective charges -------------------------- 1 Na 1.1463507 0.0003442 0.0249267 -0.1314448 1.5888603 0.0258238 -0.0658223 0.0525722 1.2230599 2 Na 1.1463507 -0.0003442 0.0249267 0.1314448 1.5888603 -0.0258238 -0.0658223 -0.0525722 1.2230599 3 Na 1.1463507 0.0003442 0.0249267 -0.1314448 1.5888603 0.0258238 -0.0658223 0.0525722 1.2230599 4 Na 1.1463507 -0.0003442 0.0249267 0.1314448 1.5888603 -0.0258238 -0.0658223 -0.0525722 1.2230599 5 Nb 6.5026118 -1.0969546 0.4205256 -0.4288377 4.2061245 -0.0516728 0.1636608 0.6886541 6.1469273 6 Nb 6.5026118 -1.0969546 0.4205256 -0.4288377 4.2061245 -0.0516728 0.1636608 0.6886541 6.1469273 7 Nb 6.5026118 1.0969546 0.4205256 0.4288377 4.2061245 0.0516728 0.1636608 -0.6886541 6.1469273 8 Nb 6.5026118 1.0969546 0.4205256 0.4288377 4.2061245 0.0516728 0.1636608 -0.6886541 6.1469273 9 Nb 7.9254252 -0.0629766 0.2854207 -0.3743856 5.5977900 0.0533591 0.2328174 0.8616650 6.4113548 10 Nb 7.9254252 0.0629766 0.2854207 0.3743856 5.5977900 -0.0533591 0.2328174 -0.8616650 6.4113548 11 Nb 7.9254252 0.0629766 0.2854207 0.3743856 5.5977900 -0.0533591 0.2328174 -0.8616650 6.4113548 12 Nb 7.9254252 -0.0629766 0.2854207 -0.3743856 5.5977900 0.0533591 0.2328174 0.8616650 6.4113548 13 As 4.3711871 -0.3404373 -0.3810173 -0.4662421 3.8999668 -1.6043350 0.0863174 -1.6499338 4.7330345 14 As 4.3711871 0.3404373 -0.3810173 0.4662421 3.8999668 1.6043350 0.0863174 1.6499338 4.7330345 15 As 4.3711871 0.3404373 -0.3810173 0.4662421 3.8999668 1.6043350 0.0863174 1.6499338 4.7330345 16 As 4.3711871 -0.3404373 -0.3810173 -0.4662421 3.8999668 -1.6043350 0.0863174 -1.6499338 4.7330345 17 O -1.3674289 -0.7336995 0.1477508 -0.9007125 -2.4259988 0.2773726 0.2087127 0.2834520 -0.9624954 18 O -1.7443155 1.0557665 -0.5777794 0.7973757 -2.6028605 0.8904532 -0.5667277 1.1343056 -2.0347892 19 O -2.5806643 0.8717163 1.0657777 0.9088712 -1.6914907 -0.9050592 1.3101798 -0.9862941 -2.4408168 20 O -2.5806643 -0.8717163 1.0657777 -0.9088712 -1.6914907 0.9050592 1.3101798 0.9862941 -2.4408168 21 O -3.7428752 0.3301472 1.9793460 0.0877565 -1.4120770 -0.1715206 1.5801504 -0.5653864 -2.4785758 22 O -2.4803330 1.8880662 -1.0680902 1.4025304 -2.5347890 0.9002013 -1.1131333 1.2642473 -1.9972785 23 O -1.3674289 -0.7336995 0.1477508 -0.9007125 -2.4259988 0.2773726 0.2087127 0.2834520 -0.9624954 24 O -3.6185010 1.0843204 -2.2231519 0.7288335 -1.4807259 0.6125504 -1.7818384 0.8217238 -2.6181077 25 O -2.4803330 1.8880662 -1.0680902 1.4025304 -2.5347890 0.9002013 -1.1131333 1.2642473 -1.9972785 26 O -2.5806643 -0.8717163 1.0657777 -0.9088712 -1.6914907 0.9050592 1.3101798 0.9862941 -2.4408168 27 O -2.6037974 -1.0264457 -1.0279582 -0.8960992 -1.9441926 -0.9698849 -1.2326002 -1.1456987 -2.1709713 28 O -1.8076595 -0.2341836 1.3542496 -0.5104899 -1.2006074 0.9579441 1.1782834 0.4952060 -3.8113418 29 O -1.3674289 0.7336995 0.1477508 0.9007125 -2.4259988 -0.2773726 0.2087127 -0.2834520 -0.9624954 30 O -2.4803330 -1.8880662 -1.0680902 -1.4025304 -2.5347890 -0.9002013 -1.1131333 -1.2642473 -1.9972785 31 O -3.7428752 -0.3301472 1.9793460 -0.0877565 -1.4120770 0.1715206 1.5801504 0.5653864 -2.4785758 32 O -3.6185010 -1.0843204 -2.2231519 -0.7288335 -1.4807259 -0.6125504 -1.7818384 -0.8217238 -2.6181077 33 O -3.6185010 1.0843204 -2.2231519 0.7288335 -1.4807259 0.6125504 -1.7818384 0.8217238 -2.6181077 34 O -1.8076595 -0.2341836 1.3542496 -0.5104899 -1.2006074 0.9579441 1.1782834 0.4952060 -3.8113418 35 O -2.6037974 -1.0264457 -1.0279582 -0.8960992 -1.9441926 -0.9698849 -1.2326002 -1.1456987 -2.1709713 36 O -1.7443155 -1.0557665 -0.5777794 -0.7973757 -2.6028605 -0.8904532 -0.5667277 -1.1343056 -2.0347892 37 O -1.7443155 -1.0557665 -0.5777794 -0.7973757 -2.6028605 -0.8904532 -0.5667277 -1.1343056 -2.0347892 38 O -1.3674289 0.7336995 0.1477508 0.9007125 -2.4259988 -0.2773726 0.2087127 -0.2834520 -0.9624954 39 O -1.7443155 1.0557665 -0.5777794 0.7973757 -2.6028605 0.8904532 -0.5667277 1.1343056 -2.0347892 40 O -2.6037974 1.0264457 -1.0279582 0.8960992 -1.9441926 0.9698849 -1.2326002 1.1456987 -2.1709713 41 O -1.8076595 0.2341836 1.3542496 0.5104899 -1.2006074 -0.9579441 1.1782834 -0.4952060 -3.8113418 42 O -2.5806643 0.8717163 1.0657777 0.9088712 -1.6914907 -0.9050592 1.3101798 -0.9862941 -2.4408168 43 O -3.6185010 -1.0843204 -2.2231519 -0.7288335 -1.4807259 -0.6125504 -1.7818384 -0.8217238 -2.6181077 44 O -3.7428752 -0.3301472 1.9793460 -0.0877565 -1.4120770 0.1715206 1.5801504 0.5653864 -2.4785758 45 O -3.7428752 0.3301472 1.9793460 0.0877565 -1.4120770 -0.1715206 1.5801504 -0.5653864 -2.4785758 46 O -2.6037974 1.0264457 -1.0279582 0.8960992 -1.9441926 0.9698849 -1.2326002 1.1456987 -2.1709713 47 O -1.8076595 0.2341836 1.3542496 0.5104899 -1.2006074 -0.9579441 1.1782834 -0.4952060 -3.8113418 48 O -2.4803330 -1.8880662 -1.0680902 -1.4025304 -2.5347890 -0.9002013 -1.1131333 -1.2642473 -1.9972785 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5328 Number of blocks in projector: 5328 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1152 / 1152 (1) 138 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 35 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1152 / 1152 (1) 138 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 35 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5328, 5221), data: False |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 35), data: (1152, 59) @ (59, 35) |-- (152, 138), data: True |-- (500, 479), data: False |-- (500, 20), data: (500, 41) @ (41, 20) |-- (250, 230), data: True |-- (250, 229), data: True |-- (500, 476), data: False |-- (500, 23), data: (500, 47) @ (47, 23) |-- (250, 227), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 35), data: (1152, 59) @ (59, 35) |-- (152, 138), data: True |-- (500, 479), data: False |-- (500, 20), data: (500, 41) @ (41, 20) |-- (250, 230), data: True |-- (250, 229), data: True |-- (500, 476), data: False |-- (500, 23), data: (500, 47) @ (47, 23) |-- (250, 227), data: True |-- (250, 226), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1440 - Time: 1.219 Solver_block: 200 / 1440 - Time: 1.037 Solver_block: 300 / 1440 - Time: 1.040 Solver_block: 400 / 1440 - Time: 1.037 Solver_block: 500 / 1440 - Time: 1.029 Solver_block: 600 / 1440 - Time: 1.035 Solver_block: 700 / 1440 - Time: 1.032 Solver_block: 800 / 1440 - Time: 1.029 Solver_block: 900 / 1440 - Time: 1.027 Solver_block: 1000 / 1440 - Time: 1.028 Solver_block: 1100 / 1440 - Time: 1.034 Solver_block: 1200 / 1440 - Time: 1.029 Solver_block: 1300 / 1440 - Time: 1.036 Solver_block: 1400 / 1440 - Time: 1.037 Solver_block: 1440 / 1440 - Time: 0.544 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.606 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5328 Number of blocks in projector: 5328 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1152 / 1152 (1) 138 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 35 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1152 / 1152 (1) 138 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 35 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5328, 5221), data: False |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 35), data: (1152, 59) @ (59, 35) |-- (152, 138), data: True |-- (500, 479), data: False |-- (500, 20), data: (500, 41) @ (41, 20) |-- (250, 230), data: True |-- (250, 229), data: True |-- (500, 476), data: False |-- (500, 23), data: (500, 47) @ (47, 23) |-- (250, 227), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 35), data: (1152, 59) @ (59, 35) |-- (152, 138), data: True |-- (500, 479), data: False |-- (500, 20), data: (500, 41) @ (41, 20) |-- (250, 230), data: True |-- (250, 229), data: True |-- (500, 476), data: False |-- (500, 23), data: (500, 47) @ (47, 23) |-- (250, 227), data: True |-- (250, 226), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 15:25:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:25:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.927607500514680 0.000000000000000 0.000000000000000 b 0.000000000000000 8.604517700000002 0.000000000000000 c -2.656939818633888 0.000000000000000 14.931691573005706 Atomic positions (fractional): 1 Na 0.03697401002615 0.97912242392846 0.61785564703049 22.990 2 Na 0.96302598997385 0.47912242392846 0.88214435296951 22.990 3 Na 0.96302598997385 0.02087757607154 0.38214435296951 22.990 4 Na 0.03697401002615 0.52087757607154 0.11785564703049 22.990 5 Nb 0.55075013332628 0.20639314424999 0.01934148617514 92.906 6 Nb 0.44924986667372 0.79360685575001 0.98065851382486 92.906 7 Nb 0.44924986667372 0.70639314424999 0.48065851382486 92.906 8 Nb 0.55075013332628 0.29360685575001 0.51934148617514 92.906 9 Nb 0.95249248653988 0.42799514198254 0.36023994078813 92.906 10 Nb 0.95249248653988 0.07200485801746 0.86023994078813 92.906 11 Nb 0.04750751346012 0.92799514198254 0.13976005921187 92.906 12 Nb 0.04750751346012 0.57200485801746 0.63976005921187 92.906 13 As 0.38857905707229 0.26143846826806 0.73441666527684 74.922 14 As 0.61142094292771 0.76143846826806 0.76558333472316 74.922 15 As 0.38857905707229 0.23856153173194 0.23441666527684 74.922 16 As 0.61142094292771 0.73856153173194 0.26558333472316 74.922 17 O 0.72688896289204 0.37648965505052 0.99577859833115 15.999 18 O 0.27294311173822 0.44370256736582 0.74717542455311 15.999 19 O 0.82771158580223 0.62133779027974 0.74273742248277 15.999 20 O 0.82771158580223 0.87866220972026 0.24273742248277 15.999 21 O 0.31678996663971 0.95598205319359 0.06146419809770 15.999 22 O 0.84835661357388 0.11021447882572 0.10951310666102 15.999 23 O 0.27311103710795 0.62351034494948 0.00422140166885 15.999 24 O 0.19616777750252 0.28454840116753 0.43249433209116 15.999 25 O 0.15164338642612 0.88978552117428 0.89048689333899 15.999 26 O 0.17228841419777 0.12133779027974 0.75726257751723 15.999 27 O 0.29750287432058 0.75569566448952 0.70085524441244 15.999 28 O 0.39397805392100 0.21666188581786 0.62487428148280 15.999 29 O 0.72688896289204 0.12351034494948 0.49577859833115 15.999 30 O 0.84835661357388 0.38978552117428 0.60951310666101 15.999 31 O 0.31678996663971 0.54401794680641 0.56146419809770 15.999 32 O 0.80383222249748 0.78454840116753 0.06750566790884 15.999 33 O 0.80383222249748 0.71545159883247 0.56750566790884 15.999 34 O 0.60602194607900 0.78333811418214 0.37512571851720 15.999 35 O 0.70249712567942 0.24430433551048 0.29914475558756 15.999 36 O 0.27294311173822 0.05629743263418 0.24717542455311 15.999 37 O 0.72705688826178 0.94370256736582 0.75282457544689 15.999 38 O 0.27311103710795 0.87648965505052 0.50422140166885 15.999 39 O 0.72705688826178 0.55629743263418 0.25282457544689 15.999 40 O 0.29750287432058 0.74430433551048 0.20085524441244 15.999 41 O 0.39397805392100 0.28333811418214 0.12487428148280 15.999 42 O 0.17228841419777 0.37866220972026 0.25726257751723 15.999 43 O 0.19616777750252 0.21545159883247 0.93249433209116 15.999 44 O 0.68321003336029 0.45598205319359 0.43853580190230 15.999 45 O 0.68321003336029 0.04401794680641 0.93853580190230 15.999 46 O 0.70249712567942 0.25569566448952 0.79914475558756 15.999 47 O 0.60602194607900 0.71666188581786 0.87512571851720 15.999 48 O 0.15164338642612 0.61021447882572 0.39048689333899 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.855215001029361 0.000000000000000 0.000000000000000 b 0.000000000000000 8.604517700000002 0.000000000000000 c -2.656939818633888 0.000000000000000 14.931691573005706 Atomic positions (fractional): 1 Na 0.01848700501308 0.97912242392846 0.61785564703049 22.990 > 1 2 Na 0.51848700501308 0.97912242392846 0.61785564703049 22.990 > 1 3 Na 0.48151299498692 0.47912242392846 0.88214435296951 22.990 > 3 4 Na 0.98151299498692 0.47912242392846 0.88214435296951 22.990 > 3 5 Na 0.48151299498692 0.02087757607154 0.38214435296951 22.990 > 5 6 Na 0.98151299498692 0.02087757607154 0.38214435296951 22.990 > 5 7 Na 0.01848700501308 0.52087757607154 0.11785564703049 22.990 > 7 8 Na 0.51848700501308 0.52087757607154 0.11785564703049 22.990 > 7 9 Nb 0.27537506666314 0.20639314424999 0.01934148617514 92.906 > 9 10 Nb 0.77537506666314 0.20639314424999 0.01934148617514 92.906 > 9 11 Nb 0.22462493333686 0.79360685575001 0.98065851382486 92.906 > 11 12 Nb 0.72462493333686 0.79360685575001 0.98065851382486 92.906 > 11 13 Nb 0.22462493333686 0.70639314424999 0.48065851382486 92.906 > 13 14 Nb 0.72462493333686 0.70639314424999 0.48065851382486 92.906 > 13 15 Nb 0.27537506666314 0.29360685575001 0.51934148617514 92.906 > 15 16 Nb 0.77537506666314 0.29360685575001 0.51934148617514 92.906 > 15 17 Nb 0.47624624326994 0.42799514198254 0.36023994078813 92.906 > 17 18 Nb 0.97624624326994 0.42799514198254 0.36023994078813 92.906 > 17 19 Nb 0.47624624326994 0.07200485801746 0.86023994078813 92.906 > 19 20 Nb 0.97624624326994 0.07200485801746 0.86023994078813 92.906 > 19 21 Nb 0.02375375673006 0.92799514198254 0.13976005921187 92.906 > 21 22 Nb 0.52375375673006 0.92799514198254 0.13976005921187 92.906 > 21 23 Nb 0.02375375673006 0.57200485801746 0.63976005921187 92.906 > 23 24 Nb 0.52375375673006 0.57200485801746 0.63976005921187 92.906 > 23 25 As 0.19428952853615 0.26143846826806 0.73441666527684 74.922 > 25 26 As 0.69428952853615 0.26143846826806 0.73441666527684 74.922 > 25 27 As 0.30571047146385 0.76143846826806 0.76558333472316 74.922 > 27 28 As 0.80571047146385 0.76143846826806 0.76558333472316 74.922 > 27 29 As 0.19428952853615 0.23856153173194 0.23441666527684 74.922 > 29 30 As 0.69428952853615 0.23856153173194 0.23441666527684 74.922 > 29 31 As 0.30571047146385 0.73856153173194 0.26558333472316 74.922 > 31 32 As 0.80571047146385 0.73856153173194 0.26558333472316 74.922 > 31 33 O 0.36344448144602 0.37648965505052 0.99577859833115 15.999 > 33 34 O 0.86344448144602 0.37648965505052 0.99577859833115 15.999 > 33 35 O 0.13647155586911 0.44370256736582 0.74717542455311 15.999 > 35 36 O 0.63647155586911 0.44370256736582 0.74717542455311 15.999 > 35 37 O 0.41385579290112 0.62133779027974 0.74273742248277 15.999 > 37 38 O 0.91385579290112 0.62133779027974 0.74273742248277 15.999 > 37 39 O 0.41385579290112 0.87866220972026 0.24273742248277 15.999 > 39 40 O 0.91385579290112 0.87866220972026 0.24273742248277 15.999 > 39 41 O 0.15839498331985 0.95598205319359 0.06146419809770 15.999 > 41 42 O 0.65839498331985 0.95598205319359 0.06146419809770 15.999 > 41 43 O 0.42417830678694 0.11021447882572 0.10951310666102 15.999 > 43 44 O 0.92417830678694 0.11021447882572 0.10951310666102 15.999 > 43 45 O 0.13655551855398 0.62351034494948 0.00422140166885 15.999 > 45 46 O 0.63655551855398 0.62351034494948 0.00422140166885 15.999 > 45 47 O 0.09808388875126 0.28454840116753 0.43249433209116 15.999 > 47 48 O 0.59808388875126 0.28454840116753 0.43249433209116 15.999 > 47 49 O 0.07582169321306 0.88978552117428 0.89048689333899 15.999 > 49 50 O 0.57582169321306 0.88978552117428 0.89048689333899 15.999 > 49 51 O 0.08614420709888 0.12133779027974 0.75726257751723 15.999 > 51 52 O 0.58614420709888 0.12133779027974 0.75726257751723 15.999 > 51 53 O 0.14875143716029 0.75569566448952 0.70085524441244 15.999 > 53 54 O 0.64875143716029 0.75569566448952 0.70085524441244 15.999 > 53 55 O 0.19698902696050 0.21666188581786 0.62487428148280 15.999 > 55 56 O 0.69698902696050 0.21666188581786 0.62487428148280 15.999 > 55 57 O 0.36344448144602 0.12351034494948 0.49577859833115 15.999 > 57 58 O 0.86344448144602 0.12351034494948 0.49577859833115 15.999 > 57 59 O 0.42417830678694 0.38978552117428 0.60951310666101 15.999 > 59 60 O 0.92417830678694 0.38978552117428 0.60951310666101 15.999 > 59 61 O 0.15839498331985 0.54401794680641 0.56146419809770 15.999 > 61 62 O 0.65839498331985 0.54401794680641 0.56146419809770 15.999 > 61 63 O 0.40191611124874 0.78454840116753 0.06750566790884 15.999 > 63 64 O 0.90191611124874 0.78454840116753 0.06750566790884 15.999 > 63 65 O 0.40191611124874 0.71545159883247 0.56750566790884 15.999 > 65 66 O 0.90191611124874 0.71545159883247 0.56750566790884 15.999 > 65 67 O 0.30301097303950 0.78333811418214 0.37512571851720 15.999 > 67 68 O 0.80301097303950 0.78333811418214 0.37512571851720 15.999 > 67 69 O 0.35124856283971 0.24430433551048 0.29914475558756 15.999 > 69 70 O 0.85124856283971 0.24430433551048 0.29914475558756 15.999 > 69 71 O 0.13647155586911 0.05629743263418 0.24717542455311 15.999 > 71 72 O 0.63647155586911 0.05629743263418 0.24717542455311 15.999 > 71 73 O 0.36352844413089 0.94370256736582 0.75282457544689 15.999 > 73 74 O 0.86352844413089 0.94370256736582 0.75282457544689 15.999 > 73 75 O 0.13655551855398 0.87648965505052 0.50422140166885 15.999 > 75 76 O 0.63655551855398 0.87648965505052 0.50422140166885 15.999 > 75 77 O 0.36352844413089 0.55629743263418 0.25282457544689 15.999 > 77 78 O 0.86352844413089 0.55629743263418 0.25282457544689 15.999 > 77 79 O 0.14875143716029 0.74430433551048 0.20085524441244 15.999 > 79 80 O 0.64875143716029 0.74430433551048 0.20085524441244 15.999 > 79 81 O 0.19698902696050 0.28333811418214 0.12487428148280 15.999 > 81 82 O 0.69698902696050 0.28333811418214 0.12487428148280 15.999 > 81 83 O 0.08614420709888 0.37866220972026 0.25726257751723 15.999 > 83 84 O 0.58614420709888 0.37866220972026 0.25726257751723 15.999 > 83 85 O 0.09808388875126 0.21545159883247 0.93249433209116 15.999 > 85 86 O 0.59808388875126 0.21545159883247 0.93249433209116 15.999 > 85 87 O 0.34160501668015 0.45598205319359 0.43853580190230 15.999 > 87 88 O 0.84160501668015 0.45598205319359 0.43853580190230 15.999 > 87 89 O 0.34160501668015 0.04401794680641 0.93853580190230 15.999 > 89 90 O 0.84160501668015 0.04401794680641 0.93853580190230 15.999 > 89 91 O 0.35124856283971 0.25569566448952 0.79914475558756 15.999 > 91 92 O 0.85124856283971 0.25569566448952 0.79914475558756 15.999 > 91 93 O 0.30301097303950 0.71666188581786 0.87512571851720 15.999 > 93 94 O 0.80301097303950 0.71666188581786 0.87512571851720 15.999 > 93 95 O 0.07582169321306 0.61021447882572 0.39048689333899 15.999 > 95 96 O 0.57582169321306 0.61021447882572 0.39048689333899 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7912431 0.0000000 0.1178881 0.0000000 3.9183354 0.0000000 0.1178899 0.0000000 4.4367791 -------------------------- Born effective charges -------------------------- 1 Na 1.1463507 0.0003442 0.0249267 -0.1314448 1.5888603 0.0258238 -0.0658223 0.0525722 1.2230599 2 Na 1.1463507 -0.0003442 0.0249267 0.1314448 1.5888603 -0.0258238 -0.0658223 -0.0525722 1.2230599 3 Na 1.1463507 0.0003442 0.0249267 -0.1314448 1.5888603 0.0258238 -0.0658223 0.0525722 1.2230599 4 Na 1.1463507 -0.0003442 0.0249267 0.1314448 1.5888603 -0.0258238 -0.0658223 -0.0525722 1.2230599 5 Nb 6.5026118 -1.0969546 0.4205256 -0.4288377 4.2061245 -0.0516728 0.1636608 0.6886541 6.1469273 6 Nb 6.5026118 -1.0969546 0.4205256 -0.4288377 4.2061245 -0.0516728 0.1636608 0.6886541 6.1469273 7 Nb 6.5026118 1.0969546 0.4205256 0.4288377 4.2061245 0.0516728 0.1636608 -0.6886541 6.1469273 8 Nb 6.5026118 1.0969546 0.4205256 0.4288377 4.2061245 0.0516728 0.1636608 -0.6886541 6.1469273 9 Nb 7.9254252 -0.0629766 0.2854207 -0.3743856 5.5977900 0.0533591 0.2328174 0.8616650 6.4113548 10 Nb 7.9254252 0.0629766 0.2854207 0.3743856 5.5977900 -0.0533591 0.2328174 -0.8616650 6.4113548 11 Nb 7.9254252 0.0629766 0.2854207 0.3743856 5.5977900 -0.0533591 0.2328174 -0.8616650 6.4113548 12 Nb 7.9254252 -0.0629766 0.2854207 -0.3743856 5.5977900 0.0533591 0.2328174 0.8616650 6.4113548 13 As 4.3711871 -0.3404373 -0.3810173 -0.4662421 3.8999668 -1.6043350 0.0863174 -1.6499338 4.7330345 14 As 4.3711871 0.3404373 -0.3810173 0.4662421 3.8999668 1.6043350 0.0863174 1.6499338 4.7330345 15 As 4.3711871 0.3404373 -0.3810173 0.4662421 3.8999668 1.6043350 0.0863174 1.6499338 4.7330345 16 As 4.3711871 -0.3404373 -0.3810173 -0.4662421 3.8999668 -1.6043350 0.0863174 -1.6499338 4.7330345 17 O -1.3674289 -0.7336995 0.1477508 -0.9007125 -2.4259988 0.2773726 0.2087127 0.2834520 -0.9624954 18 O -1.7443155 1.0557665 -0.5777794 0.7973757 -2.6028605 0.8904532 -0.5667277 1.1343056 -2.0347892 19 O -2.5806643 0.8717163 1.0657777 0.9088712 -1.6914907 -0.9050592 1.3101798 -0.9862941 -2.4408168 20 O -2.5806643 -0.8717163 1.0657777 -0.9088712 -1.6914907 0.9050592 1.3101798 0.9862941 -2.4408168 21 O -3.7428752 0.3301472 1.9793460 0.0877565 -1.4120770 -0.1715206 1.5801504 -0.5653864 -2.4785758 22 O -2.4803330 1.8880662 -1.0680902 1.4025304 -2.5347890 0.9002013 -1.1131333 1.2642473 -1.9972785 23 O -1.3674289 -0.7336995 0.1477508 -0.9007125 -2.4259988 0.2773726 0.2087127 0.2834520 -0.9624954 24 O -3.6185010 1.0843204 -2.2231519 0.7288335 -1.4807259 0.6125504 -1.7818384 0.8217238 -2.6181077 25 O -2.4803330 1.8880662 -1.0680902 1.4025304 -2.5347890 0.9002013 -1.1131333 1.2642473 -1.9972785 26 O -2.5806643 -0.8717163 1.0657777 -0.9088712 -1.6914907 0.9050592 1.3101798 0.9862941 -2.4408168 27 O -2.6037974 -1.0264457 -1.0279582 -0.8960992 -1.9441926 -0.9698849 -1.2326002 -1.1456987 -2.1709713 28 O -1.8076595 -0.2341836 1.3542496 -0.5104899 -1.2006074 0.9579441 1.1782834 0.4952060 -3.8113418 29 O -1.3674289 0.7336995 0.1477508 0.9007125 -2.4259988 -0.2773726 0.2087127 -0.2834520 -0.9624954 30 O -2.4803330 -1.8880662 -1.0680902 -1.4025304 -2.5347890 -0.9002013 -1.1131333 -1.2642473 -1.9972785 31 O -3.7428752 -0.3301472 1.9793460 -0.0877565 -1.4120770 0.1715206 1.5801504 0.5653864 -2.4785758 32 O -3.6185010 -1.0843204 -2.2231519 -0.7288335 -1.4807259 -0.6125504 -1.7818384 -0.8217238 -2.6181077 33 O -3.6185010 1.0843204 -2.2231519 0.7288335 -1.4807259 0.6125504 -1.7818384 0.8217238 -2.6181077 34 O -1.8076595 -0.2341836 1.3542496 -0.5104899 -1.2006074 0.9579441 1.1782834 0.4952060 -3.8113418 35 O -2.6037974 -1.0264457 -1.0279582 -0.8960992 -1.9441926 -0.9698849 -1.2326002 -1.1456987 -2.1709713 36 O -1.7443155 -1.0557665 -0.5777794 -0.7973757 -2.6028605 -0.8904532 -0.5667277 -1.1343056 -2.0347892 37 O -1.7443155 -1.0557665 -0.5777794 -0.7973757 -2.6028605 -0.8904532 -0.5667277 -1.1343056 -2.0347892 38 O -1.3674289 0.7336995 0.1477508 0.9007125 -2.4259988 -0.2773726 0.2087127 -0.2834520 -0.9624954 39 O -1.7443155 1.0557665 -0.5777794 0.7973757 -2.6028605 0.8904532 -0.5667277 1.1343056 -2.0347892 40 O -2.6037974 1.0264457 -1.0279582 0.8960992 -1.9441926 0.9698849 -1.2326002 1.1456987 -2.1709713 41 O -1.8076595 0.2341836 1.3542496 0.5104899 -1.2006074 -0.9579441 1.1782834 -0.4952060 -3.8113418 42 O -2.5806643 0.8717163 1.0657777 0.9088712 -1.6914907 -0.9050592 1.3101798 -0.9862941 -2.4408168 43 O -3.6185010 -1.0843204 -2.2231519 -0.7288335 -1.4807259 -0.6125504 -1.7818384 -0.8217238 -2.6181077 44 O -3.7428752 -0.3301472 1.9793460 -0.0877565 -1.4120770 0.1715206 1.5801504 0.5653864 -2.4785758 45 O -3.7428752 0.3301472 1.9793460 0.0877565 -1.4120770 -0.1715206 1.5801504 -0.5653864 -2.4785758 46 O -2.6037974 1.0264457 -1.0279582 0.8960992 -1.9441926 0.9698849 -1.2326002 1.1456987 -2.1709713 47 O -1.8076595 0.2341836 1.3542496 0.5104899 -1.2006074 -0.9579441 1.1782834 -0.4952060 -3.8113418 48 O -2.4803330 -1.8880662 -1.0680902 -1.4025304 -2.5347890 -0.9002013 -1.1131333 -1.2642473 -1.9972785 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 47, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:26:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:26:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.927607500514680 0.000000000000000 0.000000000000000 b 0.000000000000000 8.604517700000002 0.000000000000000 c -2.656939818633888 0.000000000000000 14.931691573005706 Atomic positions (fractional): 1 Na 0.03697401002615 0.97912242392846 0.61785564703049 22.990 2 Na 0.96302598997385 0.47912242392846 0.88214435296951 22.990 3 Na 0.96302598997385 0.02087757607154 0.38214435296951 22.990 4 Na 0.03697401002615 0.52087757607154 0.11785564703049 22.990 5 Nb 0.55075013332628 0.20639314424999 0.01934148617514 92.906 6 Nb 0.44924986667372 0.79360685575001 0.98065851382486 92.906 7 Nb 0.44924986667372 0.70639314424999 0.48065851382486 92.906 8 Nb 0.55075013332628 0.29360685575001 0.51934148617514 92.906 9 Nb 0.95249248653988 0.42799514198254 0.36023994078813 92.906 10 Nb 0.95249248653988 0.07200485801746 0.86023994078813 92.906 11 Nb 0.04750751346012 0.92799514198254 0.13976005921187 92.906 12 Nb 0.04750751346012 0.57200485801746 0.63976005921187 92.906 13 As 0.38857905707229 0.26143846826806 0.73441666527684 74.922 14 As 0.61142094292771 0.76143846826806 0.76558333472316 74.922 15 As 0.38857905707229 0.23856153173194 0.23441666527684 74.922 16 As 0.61142094292771 0.73856153173194 0.26558333472316 74.922 17 O 0.72688896289204 0.37648965505052 0.99577859833115 15.999 18 O 0.27294311173822 0.44370256736582 0.74717542455311 15.999 19 O 0.82771158580223 0.62133779027974 0.74273742248277 15.999 20 O 0.82771158580223 0.87866220972026 0.24273742248277 15.999 21 O 0.31678996663971 0.95598205319359 0.06146419809770 15.999 22 O 0.84835661357388 0.11021447882572 0.10951310666102 15.999 23 O 0.27311103710795 0.62351034494948 0.00422140166885 15.999 24 O 0.19616777750252 0.28454840116753 0.43249433209116 15.999 25 O 0.15164338642612 0.88978552117428 0.89048689333899 15.999 26 O 0.17228841419777 0.12133779027974 0.75726257751723 15.999 27 O 0.29750287432058 0.75569566448952 0.70085524441244 15.999 28 O 0.39397805392100 0.21666188581786 0.62487428148280 15.999 29 O 0.72688896289204 0.12351034494948 0.49577859833115 15.999 30 O 0.84835661357388 0.38978552117428 0.60951310666101 15.999 31 O 0.31678996663971 0.54401794680641 0.56146419809770 15.999 32 O 0.80383222249748 0.78454840116753 0.06750566790884 15.999 33 O 0.80383222249748 0.71545159883247 0.56750566790884 15.999 34 O 0.60602194607900 0.78333811418214 0.37512571851720 15.999 35 O 0.70249712567942 0.24430433551048 0.29914475558756 15.999 36 O 0.27294311173822 0.05629743263418 0.24717542455311 15.999 37 O 0.72705688826178 0.94370256736582 0.75282457544689 15.999 38 O 0.27311103710795 0.87648965505052 0.50422140166885 15.999 39 O 0.72705688826178 0.55629743263418 0.25282457544689 15.999 40 O 0.29750287432058 0.74430433551048 0.20085524441244 15.999 41 O 0.39397805392100 0.28333811418214 0.12487428148280 15.999 42 O 0.17228841419777 0.37866220972026 0.25726257751723 15.999 43 O 0.19616777750252 0.21545159883247 0.93249433209116 15.999 44 O 0.68321003336029 0.45598205319359 0.43853580190230 15.999 45 O 0.68321003336029 0.04401794680641 0.93853580190230 15.999 46 O 0.70249712567942 0.25569566448952 0.79914475558756 15.999 47 O 0.60602194607900 0.71666188581786 0.87512571851720 15.999 48 O 0.15164338642612 0.61021447882572 0.39048689333899 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.855215001029361 0.000000000000000 0.000000000000000 b 0.000000000000000 8.604517700000002 0.000000000000000 c -2.656939818633888 0.000000000000000 14.931691573005706 Atomic positions (fractional): 1 Na 0.01848700501308 0.97912242392846 0.61785564703049 22.990 > 1 2 Na 0.51848700501308 0.97912242392846 0.61785564703049 22.990 > 1 3 Na 0.48151299498692 0.47912242392846 0.88214435296951 22.990 > 3 4 Na 0.98151299498692 0.47912242392846 0.88214435296951 22.990 > 3 5 Na 0.48151299498692 0.02087757607154 0.38214435296951 22.990 > 5 6 Na 0.98151299498692 0.02087757607154 0.38214435296951 22.990 > 5 7 Na 0.01848700501308 0.52087757607154 0.11785564703049 22.990 > 7 8 Na 0.51848700501308 0.52087757607154 0.11785564703049 22.990 > 7 9 Nb 0.27537506666314 0.20639314424999 0.01934148617514 92.906 > 9 10 Nb 0.77537506666314 0.20639314424999 0.01934148617514 92.906 > 9 11 Nb 0.22462493333686 0.79360685575001 0.98065851382486 92.906 > 11 12 Nb 0.72462493333686 0.79360685575001 0.98065851382486 92.906 > 11 13 Nb 0.22462493333686 0.70639314424999 0.48065851382486 92.906 > 13 14 Nb 0.72462493333686 0.70639314424999 0.48065851382486 92.906 > 13 15 Nb 0.27537506666314 0.29360685575001 0.51934148617514 92.906 > 15 16 Nb 0.77537506666314 0.29360685575001 0.51934148617514 92.906 > 15 17 Nb 0.47624624326994 0.42799514198254 0.36023994078813 92.906 > 17 18 Nb 0.97624624326994 0.42799514198254 0.36023994078813 92.906 > 17 19 Nb 0.47624624326994 0.07200485801746 0.86023994078813 92.906 > 19 20 Nb 0.97624624326994 0.07200485801746 0.86023994078813 92.906 > 19 21 Nb 0.02375375673006 0.92799514198254 0.13976005921187 92.906 > 21 22 Nb 0.52375375673006 0.92799514198254 0.13976005921187 92.906 > 21 23 Nb 0.02375375673006 0.57200485801746 0.63976005921187 92.906 > 23 24 Nb 0.52375375673006 0.57200485801746 0.63976005921187 92.906 > 23 25 As 0.19428952853615 0.26143846826806 0.73441666527684 74.922 > 25 26 As 0.69428952853615 0.26143846826806 0.73441666527684 74.922 > 25 27 As 0.30571047146385 0.76143846826806 0.76558333472316 74.922 > 27 28 As 0.80571047146385 0.76143846826806 0.76558333472316 74.922 > 27 29 As 0.19428952853615 0.23856153173194 0.23441666527684 74.922 > 29 30 As 0.69428952853615 0.23856153173194 0.23441666527684 74.922 > 29 31 As 0.30571047146385 0.73856153173194 0.26558333472316 74.922 > 31 32 As 0.80571047146385 0.73856153173194 0.26558333472316 74.922 > 31 33 O 0.36344448144602 0.37648965505052 0.99577859833115 15.999 > 33 34 O 0.86344448144602 0.37648965505052 0.99577859833115 15.999 > 33 35 O 0.13647155586911 0.44370256736582 0.74717542455311 15.999 > 35 36 O 0.63647155586911 0.44370256736582 0.74717542455311 15.999 > 35 37 O 0.41385579290112 0.62133779027974 0.74273742248277 15.999 > 37 38 O 0.91385579290112 0.62133779027974 0.74273742248277 15.999 > 37 39 O 0.41385579290112 0.87866220972026 0.24273742248277 15.999 > 39 40 O 0.91385579290112 0.87866220972026 0.24273742248277 15.999 > 39 41 O 0.15839498331985 0.95598205319359 0.06146419809770 15.999 > 41 42 O 0.65839498331985 0.95598205319359 0.06146419809770 15.999 > 41 43 O 0.42417830678694 0.11021447882572 0.10951310666102 15.999 > 43 44 O 0.92417830678694 0.11021447882572 0.10951310666102 15.999 > 43 45 O 0.13655551855398 0.62351034494948 0.00422140166885 15.999 > 45 46 O 0.63655551855398 0.62351034494948 0.00422140166885 15.999 > 45 47 O 0.09808388875126 0.28454840116753 0.43249433209116 15.999 > 47 48 O 0.59808388875126 0.28454840116753 0.43249433209116 15.999 > 47 49 O 0.07582169321306 0.88978552117428 0.89048689333899 15.999 > 49 50 O 0.57582169321306 0.88978552117428 0.89048689333899 15.999 > 49 51 O 0.08614420709888 0.12133779027974 0.75726257751723 15.999 > 51 52 O 0.58614420709888 0.12133779027974 0.75726257751723 15.999 > 51 53 O 0.14875143716029 0.75569566448952 0.70085524441244 15.999 > 53 54 O 0.64875143716029 0.75569566448952 0.70085524441244 15.999 > 53 55 O 0.19698902696050 0.21666188581786 0.62487428148280 15.999 > 55 56 O 0.69698902696050 0.21666188581786 0.62487428148280 15.999 > 55 57 O 0.36344448144602 0.12351034494948 0.49577859833115 15.999 > 57 58 O 0.86344448144602 0.12351034494948 0.49577859833115 15.999 > 57 59 O 0.42417830678694 0.38978552117428 0.60951310666101 15.999 > 59 60 O 0.92417830678694 0.38978552117428 0.60951310666101 15.999 > 59 61 O 0.15839498331985 0.54401794680641 0.56146419809770 15.999 > 61 62 O 0.65839498331985 0.54401794680641 0.56146419809770 15.999 > 61 63 O 0.40191611124874 0.78454840116753 0.06750566790884 15.999 > 63 64 O 0.90191611124874 0.78454840116753 0.06750566790884 15.999 > 63 65 O 0.40191611124874 0.71545159883247 0.56750566790884 15.999 > 65 66 O 0.90191611124874 0.71545159883247 0.56750566790884 15.999 > 65 67 O 0.30301097303950 0.78333811418214 0.37512571851720 15.999 > 67 68 O 0.80301097303950 0.78333811418214 0.37512571851720 15.999 > 67 69 O 0.35124856283971 0.24430433551048 0.29914475558756 15.999 > 69 70 O 0.85124856283971 0.24430433551048 0.29914475558756 15.999 > 69 71 O 0.13647155586911 0.05629743263418 0.24717542455311 15.999 > 71 72 O 0.63647155586911 0.05629743263418 0.24717542455311 15.999 > 71 73 O 0.36352844413089 0.94370256736582 0.75282457544689 15.999 > 73 74 O 0.86352844413089 0.94370256736582 0.75282457544689 15.999 > 73 75 O 0.13655551855398 0.87648965505052 0.50422140166885 15.999 > 75 76 O 0.63655551855398 0.87648965505052 0.50422140166885 15.999 > 75 77 O 0.36352844413089 0.55629743263418 0.25282457544689 15.999 > 77 78 O 0.86352844413089 0.55629743263418 0.25282457544689 15.999 > 77 79 O 0.14875143716029 0.74430433551048 0.20085524441244 15.999 > 79 80 O 0.64875143716029 0.74430433551048 0.20085524441244 15.999 > 79 81 O 0.19698902696050 0.28333811418214 0.12487428148280 15.999 > 81 82 O 0.69698902696050 0.28333811418214 0.12487428148280 15.999 > 81 83 O 0.08614420709888 0.37866220972026 0.25726257751723 15.999 > 83 84 O 0.58614420709888 0.37866220972026 0.25726257751723 15.999 > 83 85 O 0.09808388875126 0.21545159883247 0.93249433209116 15.999 > 85 86 O 0.59808388875126 0.21545159883247 0.93249433209116 15.999 > 85 87 O 0.34160501668015 0.45598205319359 0.43853580190230 15.999 > 87 88 O 0.84160501668015 0.45598205319359 0.43853580190230 15.999 > 87 89 O 0.34160501668015 0.04401794680641 0.93853580190230 15.999 > 89 90 O 0.84160501668015 0.04401794680641 0.93853580190230 15.999 > 89 91 O 0.35124856283971 0.25569566448952 0.79914475558756 15.999 > 91 92 O 0.85124856283971 0.25569566448952 0.79914475558756 15.999 > 91 93 O 0.30301097303950 0.71666188581786 0.87512571851720 15.999 > 93 94 O 0.80301097303950 0.71666188581786 0.87512571851720 15.999 > 93 95 O 0.07582169321306 0.61021447882572 0.39048689333899 15.999 > 95 96 O 0.57582169321306 0.61021447882572 0.39048689333899 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7912431 0.0000000 0.1178881 0.0000000 3.9183354 0.0000000 0.1178899 0.0000000 4.4367791 -------------------------- Born effective charges -------------------------- 1 Na 1.1463507 0.0003442 0.0249267 -0.1314448 1.5888603 0.0258238 -0.0658223 0.0525722 1.2230599 2 Na 1.1463507 -0.0003442 0.0249267 0.1314448 1.5888603 -0.0258238 -0.0658223 -0.0525722 1.2230599 3 Na 1.1463507 0.0003442 0.0249267 -0.1314448 1.5888603 0.0258238 -0.0658223 0.0525722 1.2230599 4 Na 1.1463507 -0.0003442 0.0249267 0.1314448 1.5888603 -0.0258238 -0.0658223 -0.0525722 1.2230599 5 Nb 6.5026118 -1.0969546 0.4205256 -0.4288377 4.2061245 -0.0516728 0.1636608 0.6886541 6.1469273 6 Nb 6.5026118 -1.0969546 0.4205256 -0.4288377 4.2061245 -0.0516728 0.1636608 0.6886541 6.1469273 7 Nb 6.5026118 1.0969546 0.4205256 0.4288377 4.2061245 0.0516728 0.1636608 -0.6886541 6.1469273 8 Nb 6.5026118 1.0969546 0.4205256 0.4288377 4.2061245 0.0516728 0.1636608 -0.6886541 6.1469273 9 Nb 7.9254252 -0.0629766 0.2854207 -0.3743856 5.5977900 0.0533591 0.2328174 0.8616650 6.4113548 10 Nb 7.9254252 0.0629766 0.2854207 0.3743856 5.5977900 -0.0533591 0.2328174 -0.8616650 6.4113548 11 Nb 7.9254252 0.0629766 0.2854207 0.3743856 5.5977900 -0.0533591 0.2328174 -0.8616650 6.4113548 12 Nb 7.9254252 -0.0629766 0.2854207 -0.3743856 5.5977900 0.0533591 0.2328174 0.8616650 6.4113548 13 As 4.3711871 -0.3404373 -0.3810173 -0.4662421 3.8999668 -1.6043350 0.0863174 -1.6499338 4.7330345 14 As 4.3711871 0.3404373 -0.3810173 0.4662421 3.8999668 1.6043350 0.0863174 1.6499338 4.7330345 15 As 4.3711871 0.3404373 -0.3810173 0.4662421 3.8999668 1.6043350 0.0863174 1.6499338 4.7330345 16 As 4.3711871 -0.3404373 -0.3810173 -0.4662421 3.8999668 -1.6043350 0.0863174 -1.6499338 4.7330345 17 O -1.3674289 -0.7336995 0.1477508 -0.9007125 -2.4259988 0.2773726 0.2087127 0.2834520 -0.9624954 18 O -1.7443155 1.0557665 -0.5777794 0.7973757 -2.6028605 0.8904532 -0.5667277 1.1343056 -2.0347892 19 O -2.5806643 0.8717163 1.0657777 0.9088712 -1.6914907 -0.9050592 1.3101798 -0.9862941 -2.4408168 20 O -2.5806643 -0.8717163 1.0657777 -0.9088712 -1.6914907 0.9050592 1.3101798 0.9862941 -2.4408168 21 O -3.7428752 0.3301472 1.9793460 0.0877565 -1.4120770 -0.1715206 1.5801504 -0.5653864 -2.4785758 22 O -2.4803330 1.8880662 -1.0680902 1.4025304 -2.5347890 0.9002013 -1.1131333 1.2642473 -1.9972785 23 O -1.3674289 -0.7336995 0.1477508 -0.9007125 -2.4259988 0.2773726 0.2087127 0.2834520 -0.9624954 24 O -3.6185010 1.0843204 -2.2231519 0.7288335 -1.4807259 0.6125504 -1.7818384 0.8217238 -2.6181077 25 O -2.4803330 1.8880662 -1.0680902 1.4025304 -2.5347890 0.9002013 -1.1131333 1.2642473 -1.9972785 26 O -2.5806643 -0.8717163 1.0657777 -0.9088712 -1.6914907 0.9050592 1.3101798 0.9862941 -2.4408168 27 O -2.6037974 -1.0264457 -1.0279582 -0.8960992 -1.9441926 -0.9698849 -1.2326002 -1.1456987 -2.1709713 28 O -1.8076595 -0.2341836 1.3542496 -0.5104899 -1.2006074 0.9579441 1.1782834 0.4952060 -3.8113418 29 O -1.3674289 0.7336995 0.1477508 0.9007125 -2.4259988 -0.2773726 0.2087127 -0.2834520 -0.9624954 30 O -2.4803330 -1.8880662 -1.0680902 -1.4025304 -2.5347890 -0.9002013 -1.1131333 -1.2642473 -1.9972785 31 O -3.7428752 -0.3301472 1.9793460 -0.0877565 -1.4120770 0.1715206 1.5801504 0.5653864 -2.4785758 32 O -3.6185010 -1.0843204 -2.2231519 -0.7288335 -1.4807259 -0.6125504 -1.7818384 -0.8217238 -2.6181077 33 O -3.6185010 1.0843204 -2.2231519 0.7288335 -1.4807259 0.6125504 -1.7818384 0.8217238 -2.6181077 34 O -1.8076595 -0.2341836 1.3542496 -0.5104899 -1.2006074 0.9579441 1.1782834 0.4952060 -3.8113418 35 O -2.6037974 -1.0264457 -1.0279582 -0.8960992 -1.9441926 -0.9698849 -1.2326002 -1.1456987 -2.1709713 36 O -1.7443155 -1.0557665 -0.5777794 -0.7973757 -2.6028605 -0.8904532 -0.5667277 -1.1343056 -2.0347892 37 O -1.7443155 -1.0557665 -0.5777794 -0.7973757 -2.6028605 -0.8904532 -0.5667277 -1.1343056 -2.0347892 38 O -1.3674289 0.7336995 0.1477508 0.9007125 -2.4259988 -0.2773726 0.2087127 -0.2834520 -0.9624954 39 O -1.7443155 1.0557665 -0.5777794 0.7973757 -2.6028605 0.8904532 -0.5667277 1.1343056 -2.0347892 40 O -2.6037974 1.0264457 -1.0279582 0.8960992 -1.9441926 0.9698849 -1.2326002 1.1456987 -2.1709713 41 O -1.8076595 0.2341836 1.3542496 0.5104899 -1.2006074 -0.9579441 1.1782834 -0.4952060 -3.8113418 42 O -2.5806643 0.8717163 1.0657777 0.9088712 -1.6914907 -0.9050592 1.3101798 -0.9862941 -2.4408168 43 O -3.6185010 -1.0843204 -2.2231519 -0.7288335 -1.4807259 -0.6125504 -1.7818384 -0.8217238 -2.6181077 44 O -3.7428752 -0.3301472 1.9793460 -0.0877565 -1.4120770 0.1715206 1.5801504 0.5653864 -2.4785758 45 O -3.7428752 0.3301472 1.9793460 0.0877565 -1.4120770 -0.1715206 1.5801504 -0.5653864 -2.4785758 46 O -2.6037974 1.0264457 -1.0279582 0.8960992 -1.9441926 0.9698849 -1.2326002 1.1456987 -2.1709713 47 O -1.8076595 0.2341836 1.3542496 0.5104899 -1.2006074 -0.9579441 1.1782834 -0.4952060 -3.8113418 48 O -2.4803330 -1.8880662 -1.0680902 -1.4025304 -2.5347890 -0.9002013 -1.1131333 -1.2642473 -1.9972785 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 6 3 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.48, Number of G-points: 311, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/64) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.280 ( 0.000 0.000 0.000) 0.000 2.055 ( 0.000 0.000 0.000) 0.000 2.131 ( 0.000 0.000 0.000) 0.000 2.166 ( 0.000 0.000 0.000) 0.000 2.295 ( 0.000 0.000 0.000) 0.000 2.470 ( 0.000 0.000 0.000) 0.000 2.689 ( 0.000 0.000 0.000) 0.000 2.723 ( 0.000 0.000 0.000) 0.000 2.860 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 3.013 ( 0.000 0.000 0.000) 0.000 3.024 ( 0.000 0.000 0.000) 0.000 3.091 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.290 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.471 ( 0.000 0.000 0.000) 0.000 3.595 ( 0.000 0.000 0.000) 0.000 3.641 ( 0.000 0.000 0.000) 0.000 3.842 ( 0.000 0.000 0.000) 0.000 4.017 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.202 ( 0.000 0.000 0.000) 0.000 4.235 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 4.542 ( 0.000 0.000 0.000) 0.000 4.548 ( 0.000 0.000 0.000) 0.000 4.560 ( 0.000 0.000 0.000) 0.000 4.561 ( 0.000 0.000 0.000) 0.000 4.841 ( 0.000 0.000 0.000) 0.000 4.908 ( 0.000 0.000 0.000) 0.000 4.959 ( 0.000 0.000 0.000) 0.000 5.083 ( 0.000 0.000 0.000) 0.000 5.099 ( 0.000 0.000 0.000) 0.000 5.336 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.523 ( 0.000 0.000 0.000) 0.000 5.576 ( 0.000 0.000 0.000) 0.000 5.671 ( 0.000 0.000 0.000) 0.000 5.695 ( 0.000 0.000 0.000) 0.000 5.888 ( 0.000 0.000 0.000) 0.000 6.031 ( 0.000 0.000 0.000) 0.000 6.094 ( 0.000 0.000 0.000) 0.000 6.169 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.593 ( 0.000 0.000 0.000) 0.000 6.613 ( 0.000 0.000 0.000) 0.000 6.728 ( 0.000 0.000 0.000) 0.000 6.929 ( 0.000 0.000 0.000) 0.000 7.195 ( 0.000 0.000 0.000) 0.000 7.269 ( 0.000 0.000 0.000) 0.000 7.296 ( 0.000 0.000 0.000) 0.000 7.475 ( 0.000 0.000 0.000) 0.000 7.558 ( 0.000 0.000 0.000) 0.000 7.717 ( 0.000 0.000 0.000) 0.000 7.769 ( 0.000 0.000 0.000) 0.000 7.901 ( 0.000 0.000 0.000) 0.000 8.117 ( 0.000 0.000 0.000) 0.000 8.184 ( 0.000 0.000 0.000) 0.000 8.266 ( 0.000 0.000 0.000) 0.000 8.576 ( 0.000 0.000 0.000) 0.000 8.598 ( 0.000 0.000 0.000) 0.000 8.637 ( 0.000 0.000 0.000) 0.000 8.751 ( 0.000 0.000 0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.010 ( 0.000 0.000 0.000) 0.000 9.040 ( 0.000 0.000 0.000) 0.000 9.086 ( 0.000 0.000 0.000) 0.000 9.397 ( 0.000 0.000 0.000) 0.000 9.486 ( 0.000 0.000 0.000) 0.000 9.506 ( 0.000 0.000 0.000) 0.000 10.057 ( 0.000 0.000 0.000) 0.000 10.164 ( 0.000 0.000 0.000) 0.000 10.207 ( 0.000 0.000 0.000) 0.000 10.617 ( 0.000 0.000 0.000) 0.000 10.876 ( 0.000 0.000 0.000) 0.000 10.878 ( 0.000 0.000 0.000) 0.000 10.908 ( 0.000 0.000 0.000) 0.000 10.914 ( 0.000 0.000 0.000) 0.000 11.111 ( 0.000 0.000 0.000) 0.000 11.288 ( 0.000 0.000 0.000) 0.000 11.342 ( 0.000 0.000 0.000) 0.000 11.567 ( 0.000 0.000 0.000) 0.000 11.749 ( 0.000 0.000 0.000) 0.000 11.921 ( 0.000 0.000 0.000) 0.000 11.944 ( 0.000 0.000 0.000) 0.000 12.115 ( 0.000 0.000 0.000) 0.000 12.443 ( 0.000 0.000 0.000) 0.000 12.480 ( 0.000 0.000 0.000) 0.000 12.527 ( 0.000 0.000 0.000) 0.000 12.623 ( 0.000 0.000 0.000) 0.000 12.765 ( 0.000 0.000 0.000) 0.000 12.777 ( 0.000 0.000 0.000) 0.000 13.221 ( 0.000 0.000 0.000) 0.000 13.404 ( 0.000 0.000 0.000) 0.000 13.427 ( 0.000 0.000 0.000) 0.000 13.850 ( 0.000 0.000 0.000) 0.000 13.948 ( 0.000 0.000 0.000) 0.000 13.968 ( 0.000 0.000 0.000) 0.000 14.049 ( 0.000 0.000 0.000) 0.000 14.977 ( 0.000 0.000 0.000) 0.000 15.061 ( 0.000 0.000 0.000) 0.000 15.701 ( 0.000 0.000 0.000) 0.000 15.874 ( 0.000 0.000 0.000) 0.000 16.029 ( 0.000 0.000 0.000) 0.000 16.059 ( 0.000 0.000 0.000) 0.000 16.450 ( 0.000 0.000 0.000) 0.000 16.553 ( 0.000 0.000 0.000) 0.000 17.562 ( 0.000 0.000 0.000) 0.000 17.749 ( 0.000 0.000 0.000) 0.000 20.106 ( 0.000 0.000 0.000) 0.000 21.184 ( 0.000 0.000 0.000) 0.000 21.541 ( 0.000 0.000 0.000) 0.000 21.619 ( 0.000 0.000 0.000) 0.000 21.769 ( 0.000 0.000 0.000) 0.000 22.535 ( 0.000 0.000 0.000) 0.000 22.670 ( 0.000 0.000 0.000) 0.000 23.027 ( 0.000 0.000 0.000) 0.000 23.459 ( 0.000 0.000 0.000) 0.000 23.733 ( 0.000 0.000 0.000) 0.000 23.773 ( 0.000 0.000 0.000) 0.000 23.780 ( 0.000 0.000 0.000) 0.000 24.341 ( 0.000 0.000 0.000) 0.000 25.289 ( 0.000 0.000 0.000) 0.000 25.338 ( 0.000 0.000 0.000) 0.000 26.142 ( 0.000 0.000 0.000) 0.000 26.255 ( 0.000 0.000 0.000) 0.000 26.325 ( 0.000 0.000 0.000) 0.000 26.678 ( 0.000 0.000 0.000) 0.000 26.725 ( 0.000 0.000 0.000) 0.000 26.985 ( 0.000 0.000 0.000) 0.000 27.191 ( 0.000 0.000 0.000) 0.000 27.446 ( 0.000 0.000 0.000) 0.000 27.493 ( 0.000 0.000 0.000) 0.000 28.139 ( 0.000 0.000 0.000) 0.000 28.149 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/64) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 29.301 0.000 -17.832) 34.300 0.589 ( 24.437 0.000 12.533) 27.463 1.087 ( 36.836 0.000 13.241) 39.143 1.505 ( -15.357 0.000 -20.338) 25.485 1.620 ( 34.240 0.000 4.745) 34.567 2.197 ( 4.272 0.000 -4.977) 6.559 2.305 ( 2.831 0.000 -5.540) 6.222 2.459 ( 0.660 0.000 -0.319) 0.734 2.500 ( -1.162 0.000 13.154) 13.205 2.684 ( 1.373 0.000 -0.810) 1.593 2.799 ( 5.039 0.000 2.917) 5.822 2.887 ( 0.517 0.000 -9.002) 9.016 2.911 ( -1.485 0.000 -0.685) 1.635 2.955 ( 3.311 0.000 -0.544) 3.355 3.042 ( -0.084 0.000 3.316) 3.317 3.123 ( 6.826 0.000 7.217) 9.934 3.227 ( 10.481 0.000 7.109) 12.664 3.300 ( -2.742 0.000 -3.415) 4.380 3.345 ( -0.132 0.000 1.025) 1.033 3.369 ( 6.683 0.000 -7.215) 9.834 3.504 ( 6.545 0.000 1.729) 6.770 3.638 ( 4.954 0.000 -6.864) 8.465 3.706 ( 5.255 0.000 -0.800) 5.316 3.877 ( 2.979 0.000 4.065) 5.040 3.952 ( -5.847 0.000 7.561) 9.558 4.055 ( 0.907 0.000 -0.546) 1.059 4.128 ( -4.170 0.000 3.600) 5.509 4.168 ( -5.670 0.000 1.598) 5.891 4.186 ( 1.613 0.000 -5.801) 6.021 4.229 ( 0.596 0.000 4.537) 4.576 4.335 ( 7.733 0.000 -8.174) 11.252 4.439 ( -3.653 0.000 -5.115) 6.285 4.510 ( 0.846 0.000 3.816) 3.908 4.527 ( -0.611 0.000 3.608) 3.659 4.634 ( 2.349 0.000 -0.868) 2.505 4.682 ( 3.095 0.000 -0.186) 3.100 4.820 ( -4.905 0.000 0.910) 4.989 4.855 ( 0.308 0.000 -4.181) 4.192 5.054 ( 6.419 0.000 -0.908) 6.482 5.087 ( -0.108 0.000 2.510) 2.512 5.255 ( -4.601 0.000 -0.002) 4.601 5.263 ( 7.401 0.000 -11.467) 13.648 5.451 ( 2.739 0.000 4.973) 5.677 5.513 ( -2.308 0.000 2.116) 3.131 5.553 ( 1.137 0.000 -4.927) 5.056 5.698 ( 2.343 0.000 0.768) 2.466 5.819 ( 3.112 0.000 2.356) 3.903 6.043 ( -7.337 0.000 9.059) 11.657 6.055 ( 6.107 0.000 0.088) 6.107 6.108 ( -5.941 0.000 -0.173) 5.944 6.115 ( 1.645 0.000 2.813) 3.259 6.418 ( -1.567 0.000 -2.763) 3.176 6.500 ( -7.428 0.000 -4.498) 8.684 6.642 ( 3.486 0.000 -1.104) 3.656 6.798 ( 5.613 0.000 -2.206) 6.031 6.887 ( -4.118 0.000 5.298) 6.710 7.135 ( -4.139 0.000 -1.195) 4.308 7.186 ( -1.299 0.000 0.031) 1.299 7.407 ( 2.455 0.000 10.395) 10.681 7.460 ( -2.077 0.000 -17.746) 17.867 7.509 ( 5.171 0.000 -28.724) 29.186 7.543 ( 5.776 0.000 0.626) 5.809 7.713 ( -5.134 0.000 1.060) 5.243 7.853 ( -0.590 0.000 1.365) 1.487 7.995 ( -14.317 0.000 7.807) 16.307 8.072 ( 3.169 0.000 -17.873) 18.151 8.106 ( -1.051 0.000 1.305) 1.676 8.308 ( 0.234 0.000 -3.006) 3.015 8.510 ( -3.765 0.000 -5.428) 6.606 8.551 ( -2.979 0.000 -0.925) 3.119 8.850 ( 4.169 0.000 5.250) 6.704 8.859 ( -11.294 0.000 2.553) 11.578 8.940 ( -3.805 0.000 -6.799) 7.791 9.028 ( -2.221 0.000 1.229) 2.539 9.104 ( 1.061 0.000 -2.205) 2.447 9.275 ( -2.236 0.000 3.985) 4.570 9.399 ( -6.315 0.000 -1.472) 6.484 9.499 ( -1.843 0.000 2.051) 2.757 9.763 ( 0.891 0.000 31.119) 31.131 10.057 ( -1.128 0.000 -2.052) 2.342 10.270 ( 4.775 0.000 2.426) 5.356 10.350 ( 0.028 0.000 8.205) 8.205 10.624 ( 0.525 0.000 -2.164) 2.227 10.725 ( -9.269 0.000 -1.008) 9.324 10.856 ( -6.122 0.000 11.672) 13.180 10.957 ( 2.867 0.000 -1.464) 3.219 10.963 ( 4.248 0.000 -5.225) 6.734 11.104 ( 0.306 0.000 -1.324) 1.359 11.226 ( -2.524 0.000 -3.523) 4.334 11.414 ( 3.317 0.000 1.082) 3.489 11.572 ( -0.896 0.000 8.172) 8.221 11.626 ( -8.248 0.000 -9.418) 12.519 11.914 ( -3.204 0.000 -1.807) 3.679 11.974 ( 3.553 0.000 6.894) 7.756 12.430 ( 0.275 0.000 3.290) 3.301 12.462 ( -5.617 0.000 -0.459) 5.636 12.478 ( -9.931 0.000 -1.510) 10.045 12.555 ( 4.776 0.000 -5.394) 7.205 12.573 ( -5.891 0.000 3.807) 7.014 12.794 ( 6.022 0.000 2.346) 6.463 12.815 ( 0.386 0.000 3.117) 3.141 13.301 ( -3.483 0.000 0.472) 3.515 13.406 ( 10.806 0.000 8.621) 13.824 13.523 ( 4.831 0.000 -7.193) 8.665 13.740 ( -6.728 0.000 -0.954) 6.795 13.894 ( -9.664 0.000 2.012) 9.871 13.896 ( -6.245 0.000 -3.950) 7.389 14.015 ( -4.126 0.000 2.174) 4.664 15.033 ( 4.082 0.000 -0.520) 4.115 15.109 ( 3.878 0.000 0.915) 3.984 15.797 ( -1.913 0.000 -4.354) 4.755 15.932 ( -3.982 0.000 5.204) 6.553 16.112 ( 3.181 0.000 2.252) 3.898 16.477 ( 2.516 0.000 0.135) 2.520 17.026 ( 39.043 0.000 7.724) 39.799 17.573 ( 1.254 0.000 0.015) 1.254 17.679 ( -6.041 0.000 -1.746) 6.288 18.563 ( 26.840 0.000 -96.027) 99.707 20.564 ( -20.163 0.000 63.810) 66.920 21.225 ( 2.341 0.000 3.169) 3.940 21.314 ( -34.408 0.000 -2.129) 34.474 21.553 ( 1.775 0.000 -4.162) 4.524 22.617 ( 3.614 0.000 2.810) 4.578 22.623 ( -3.797 0.000 -0.406) 3.819 23.047 ( -2.316 0.000 -2.571) 3.461 23.089 ( -13.700 0.000 -0.669) 13.716 23.410 ( -3.529 0.000 0.509) 3.565 23.466 ( -10.756 0.000 2.322) 11.004 24.033 ( 12.666 0.000 -7.208) 14.574 24.314 ( -2.232 0.000 23.383) 23.490 25.027 ( -5.435 0.000 11.365) 12.598 25.362 ( 2.323 0.000 -3.933) 4.568 25.888 ( -1.100 0.000 -11.228) 11.282 25.915 ( -22.472 0.000 0.762) 22.485 26.129 ( -0.905 0.000 -3.876) 3.980 26.347 ( -4.348 0.000 3.522) 5.596 26.732 ( 4.103 0.000 1.945) 4.541 26.736 ( 1.853 0.000 -4.606) 4.965 27.034 ( 2.193 0.000 6.031) 6.417 27.206 ( 1.729 0.000 -3.420) 3.833 27.619 ( 10.062 0.000 -3.658) 10.707 28.029 ( -0.806 0.000 2.774) 2.889 28.156 ( 1.046 0.000 0.274) 1.081 28.161 ( 0.975 0.000 0.515) 1.102 ======================= Grid point 2 (3/64) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 34.005 0.000 -11.503) 35.898 1.110 ( 28.033 0.000 9.057) 29.459 1.570 ( 21.940 0.000 -1.769) 22.012 1.628 ( 20.798 0.000 0.377) 20.802 2.147 ( 7.402 0.000 -10.697) 13.008 2.349 ( 9.168 0.000 -10.297) 13.788 2.352 ( -8.608 0.000 8.671) 12.219 2.471 ( -2.806 0.000 8.154) 8.624 2.684 ( 34.622 0.000 15.243) 37.829 2.715 ( -2.422 0.000 -3.927) 4.614 2.831 ( 0.756 0.000 -2.461) 2.574 2.902 ( 5.288 0.000 -6.526) 8.400 2.928 ( 4.876 0.000 0.892) 4.957 3.051 ( 6.457 0.000 -1.104) 6.551 3.069 ( 0.020 0.000 4.113) 4.113 3.117 ( -3.170 0.000 7.176) 7.845 3.271 ( -4.943 0.000 5.853) 7.661 3.398 ( 4.899 0.000 -0.247) 4.905 3.470 ( 8.641 0.000 -3.590) 9.357 3.499 ( 8.073 0.000 -4.034) 9.025 3.669 ( 0.564 0.000 -4.631) 4.666 3.699 ( 8.616 0.000 1.376) 8.725 3.786 ( 3.874 0.000 -0.187) 3.879 3.873 ( 1.558 0.000 -2.558) 2.995 4.008 ( -1.611 0.000 2.215) 2.739 4.028 ( -2.270 0.000 -1.687) 2.828 4.112 ( 1.099 0.000 2.234) 2.490 4.119 ( 6.437 0.000 6.644) 9.251 4.220 ( 3.669 0.000 -4.723) 5.980 4.269 ( 0.906 0.000 1.642) 1.875 4.393 ( 4.357 0.000 -5.970) 7.391 4.519 ( 9.226 0.000 -8.769) 12.728 4.536 ( -0.164 0.000 3.243) 3.247 4.568 ( -6.930 0.000 -0.618) 6.957 4.570 ( 2.557 0.000 5.088) 5.694 4.700 ( -0.641 0.000 4.009) 4.060 4.769 ( -0.620 0.000 -2.278) 2.361 4.901 ( 3.761 0.000 1.688) 4.123 5.070 ( -1.890 0.000 -8.990) 9.187 5.120 ( 2.961 0.000 -2.291) 3.744 5.276 ( 3.146 0.000 4.653) 5.616 5.343 ( 3.679 0.000 -13.782) 14.264 5.448 ( -4.692 0.000 6.988) 8.417 5.477 ( 0.562 0.000 1.437) 1.543 5.586 ( 1.148 0.000 2.596) 2.839 5.742 ( -1.160 0.000 1.665) 2.029 5.816 ( -1.108 0.000 1.934) 2.229 5.890 ( -6.180 0.000 3.877) 7.296 5.967 ( -7.752 0.000 -1.478) 7.892 6.100 ( -0.817 0.000 -1.434) 1.651 6.271 ( -8.727 0.000 2.006) 8.955 6.292 ( 10.009 0.000 2.356) 10.282 6.448 ( 1.777 0.000 -2.842) 3.351 6.629 ( -4.055 0.000 -0.171) 4.059 6.818 ( -5.342 0.000 8.912) 10.391 6.823 ( -2.896 0.000 -8.715) 9.184 7.129 ( -4.927 0.000 2.325) 5.448 7.190 ( 5.229 0.000 5.948) 7.920 7.299 ( -7.326 0.000 -5.630) 9.240 7.438 ( -1.995 0.000 1.015) 2.238 7.518 ( 1.741 0.000 -15.520) 15.617 7.615 ( -3.681 0.000 5.911) 6.963 7.698 ( 6.811 0.000 3.222) 7.535 7.768 ( -8.104 0.000 11.367) 13.960 7.813 ( -5.319 0.000 -2.198) 5.755 8.000 ( -1.941 0.000 -11.642) 11.803 8.118 ( 0.013 0.000 2.795) 2.795 8.259 ( -3.312 0.000 0.103) 3.314 8.417 ( -7.953 0.000 -7.138) 10.687 8.428 ( -3.643 0.000 -0.381) 3.663 8.659 ( -9.382 0.000 4.868) 10.570 8.857 ( 0.079 0.000 -8.369) 8.369 8.902 ( -0.064 0.000 -2.778) 2.778 8.992 ( -1.243 0.000 3.961) 4.151 9.089 ( -1.894 0.000 -1.427) 2.372 9.261 ( 0.276 0.000 -0.898) 0.940 9.287 ( -4.042 0.000 -0.068) 4.043 9.472 ( -0.787 0.000 2.352) 2.480 9.880 ( 1.742 0.000 15.357) 15.455 9.995 ( -3.946 0.000 -1.509) 4.225 10.289 ( -7.126 0.000 0.770) 7.168 10.368 ( -0.427 0.000 -0.684) 0.807 10.569 ( -1.604 0.000 -2.229) 2.746 10.600 ( -2.103 0.000 -3.644) 4.208 10.747 ( -8.207 0.000 10.038) 12.966 10.993 ( 1.979 0.000 -4.513) 4.927 11.002 ( -0.274 0.000 3.364) 3.375 11.165 ( -2.935 0.000 -1.821) 3.454 11.172 ( 7.676 0.000 -4.091) 8.699 11.437 ( -5.698 0.000 -8.016) 9.835 11.466 ( 0.665 0.000 1.570) 1.704 11.576 ( -1.018 0.000 8.783) 8.842 11.808 ( -5.301 0.000 -4.751) 7.119 12.062 ( 0.758 0.000 6.888) 6.929 12.276 ( -7.293 0.000 -0.266) 7.298 12.380 ( -3.204 0.000 2.598) 4.125 12.429 ( -2.978 0.000 0.039) 2.978 12.529 ( 3.735 0.000 -3.790) 5.322 12.628 ( 3.291 0.000 -5.741) 6.617 12.816 ( -0.315 0.000 5.950) 5.958 12.981 ( 9.876 0.000 4.966) 11.054 13.283 ( 0.162 0.000 -2.674) 2.679 13.522 ( -4.890 0.000 6.538) 8.164 13.529 ( -1.702 0.000 -5.935) 6.174 13.656 ( -1.795 0.000 -4.396) 4.748 13.730 ( -5.720 0.000 -5.741) 8.104 13.785 ( 1.764 0.000 3.210) 3.662 13.904 ( -7.546 0.000 3.983) 8.533 15.108 ( 3.536 0.000 -1.677) 3.914 15.192 ( 3.319 0.000 1.445) 3.620 15.767 ( -0.475 0.000 -3.557) 3.589 15.845 ( -5.886 0.000 3.479) 6.837 16.199 ( 5.675 0.000 1.088) 5.778 16.547 ( 4.363 0.000 -0.647) 4.411 17.523 ( -7.752 0.000 -0.352) 7.760 17.606 ( 1.038 0.000 1.148) 1.548 17.907 ( 38.996 0.000 13.285) 41.197 18.804 ( 19.813 0.000 -38.380) 43.192 20.320 ( -17.875 0.000 19.546) 26.487 20.579 ( -32.245 0.000 -5.105) 32.647 21.311 ( 2.782 0.000 6.003) 6.616 21.578 ( 2.728 0.000 -7.407) 7.894 22.553 ( -2.486 0.000 1.529) 2.919 22.661 ( -1.732 0.000 0.285) 1.755 22.714 ( -20.990 0.000 -0.615) 20.999 22.818 ( -14.966 0.000 1.729) 15.066 23.337 ( -4.352 0.000 1.471) 4.594 23.373 ( -1.811 0.000 -0.457) 1.868 24.193 ( 5.887 0.000 -9.411) 11.100 24.352 ( -1.318 0.000 15.647) 15.702 24.912 ( -8.840 0.000 7.087) 11.330 25.285 ( -12.027 0.000 -10.016) 15.652 25.593 ( -4.364 0.000 6.516) 7.843 25.842 ( -0.231 0.000 -5.656) 5.660 26.072 ( -3.251 0.000 -3.355) 4.672 26.229 ( -7.174 0.000 2.681) 7.658 26.765 ( 2.421 0.000 -3.067) 3.908 26.825 ( 3.933 0.000 1.823) 4.334 27.091 ( 0.767 0.000 5.879) 5.929 27.207 ( -0.754 0.000 -4.020) 4.090 27.790 ( 7.278 0.000 -2.887) 7.829 28.034 ( 0.498 0.000 1.314) 1.405 28.165 ( -0.302 0.000 -0.240) 0.386 28.180 ( 0.403 0.000 0.566) 0.694 ======================= Grid point 3 (4/64) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 29.279 0.000 -7.545) 30.236 1.744 ( 23.964 0.000 12.167) 26.876 2.024 ( 18.317 0.000 -0.713) 18.331 2.128 ( 27.619 0.000 7.555) 28.634 2.245 ( 8.477 0.000 -9.577) 12.790 2.317 ( 3.248 0.000 14.516) 14.875 2.486 ( 4.808 0.000 -1.280) 4.975 2.497 ( 8.488 0.000 -8.460) 11.984 2.565 ( -7.271 0.000 -2.645) 7.737 2.873 ( 1.246 0.000 -2.857) 3.116 2.877 ( 3.441 0.000 2.230) 4.100 2.980 ( 2.356 0.000 2.669) 3.560 3.073 ( -1.277 0.000 5.538) 5.684 3.084 ( -2.383 0.000 7.318) 7.696 3.128 ( -0.445 0.000 1.223) 1.302 3.232 ( 4.162 0.000 -3.613) 5.511 3.380 ( 2.730 0.000 -3.384) 4.348 3.445 ( -0.716 0.000 0.097) 0.723 3.589 ( 2.677 0.000 -7.708) 8.160 3.616 ( 19.113 0.000 -0.027) 19.113 3.719 ( 4.108 0.000 0.681) 4.164 3.799 ( -2.854 0.000 -4.286) 5.150 3.916 ( 3.463 0.000 -4.202) 5.445 3.926 ( 9.467 0.000 3.542) 10.109 3.957 ( -2.770 0.000 -1.306) 3.063 4.055 ( 5.356 0.000 4.955) 7.297 4.163 ( 2.145 0.000 -2.931) 3.632 4.165 ( -2.734 0.000 0.317) 2.752 4.284 ( 0.566 0.000 -3.516) 3.562 4.286 ( 3.689 0.000 3.711) 5.233 4.486 ( 4.255 0.000 -3.149) 5.294 4.516 ( -1.872 0.000 -0.033) 1.872 4.530 ( 4.625 0.000 4.461) 6.426 4.631 ( 5.958 0.000 -11.255) 12.735 4.634 ( 2.048 0.000 1.487) 2.531 4.726 ( 1.173 0.000 6.060) 6.173 4.793 ( 4.912 0.000 0.234) 4.917 4.979 ( 1.861 0.000 6.509) 6.769 5.027 ( 1.118 0.000 -9.853) 9.916 5.174 ( 2.993 0.000 -4.687) 5.561 5.278 ( -2.302 0.000 -0.479) 2.352 5.280 ( -4.397 0.000 -2.531) 5.073 5.440 ( 1.162 0.000 4.252) 4.408 5.503 ( -1.542 0.000 6.332) 6.517 5.592 ( -0.984 0.000 0.956) 1.372 5.592 ( -10.892 0.000 -1.708) 11.025 5.818 ( -1.349 0.000 1.405) 1.948 5.828 ( 1.336 0.000 -1.694) 2.158 5.930 ( 2.633 0.000 0.984) 2.811 6.043 ( -3.438 0.000 -1.873) 3.915 6.155 ( -5.757 0.000 8.747) 10.471 6.398 ( -0.264 0.000 1.482) 1.505 6.468 ( 0.750 0.000 -5.928) 5.975 6.475 ( -13.439 0.000 -7.878) 15.578 6.735 ( -5.786 0.000 10.628) 12.101 6.754 ( 3.820 0.000 -0.335) 3.835 7.019 ( -5.670 0.000 2.578) 6.228 7.159 ( -4.778 0.000 -2.757) 5.516 7.225 ( -3.641 0.000 6.207) 7.196 7.403 ( 0.116 0.000 -3.799) 3.800 7.458 ( -3.348 0.000 -9.556) 10.125 7.545 ( -3.895 0.000 5.065) 6.390 7.613 ( -9.889 0.000 -5.833) 11.481 7.762 ( -0.982 0.000 13.619) 13.654 7.818 ( 4.438 0.000 -4.874) 6.592 7.932 ( -3.247 0.000 -5.724) 6.581 8.120 ( -1.130 0.000 5.933) 6.040 8.235 ( -0.867 0.000 3.617) 3.720 8.263 ( -2.867 0.000 -10.954) 11.323 8.366 ( -1.603 0.000 7.476) 7.646 8.487 ( -9.105 0.000 5.252) 10.511 8.850 ( -2.888 0.000 -6.481) 7.095 8.881 ( 3.535 0.000 -10.209) 10.804 9.018 ( 2.001 0.000 3.805) 4.299 9.061 ( 1.694 0.000 -1.323) 2.149 9.213 ( -4.025 0.000 2.781) 4.892 9.282 ( 2.325 0.000 -2.242) 3.230 9.496 ( 2.393 0.000 0.903) 2.557 9.854 ( -10.766 0.000 -0.386) 10.773 9.937 ( -0.908 0.000 11.073) 11.110 10.117 ( -4.881 0.000 -0.843) 4.953 10.322 ( -2.873 0.000 -1.969) 3.483 10.513 ( -4.782 0.000 -4.693) 6.700 10.603 ( 3.069 0.000 -0.419) 3.097 10.607 ( -8.115 0.000 7.755) 11.225 11.004 ( -0.626 0.000 2.753) 2.823 11.007 ( 1.548 0.000 -8.936) 9.069 11.093 ( -3.837 0.000 2.934) 4.830 11.332 ( 5.486 0.000 -1.809) 5.776 11.360 ( 2.459 0.000 -5.957) 6.444 11.389 ( -7.545 0.000 1.060) 7.619 11.667 ( 6.325 0.000 6.638) 9.169 11.694 ( -3.593 0.000 -4.816) 6.008 12.023 ( -5.032 0.000 0.449) 5.052 12.212 ( 0.290 0.000 4.977) 4.986 12.327 ( -4.094 0.000 4.214) 5.875 12.347 ( -5.466 0.000 -0.306) 5.475 12.538 ( -1.790 0.000 -5.860) 6.127 12.716 ( 7.594 0.000 -2.552) 8.011 12.872 ( 2.565 0.000 7.198) 7.641 13.191 ( 8.369 0.000 2.849) 8.841 13.195 ( -7.850 0.000 -8.773) 11.772 13.447 ( -1.112 0.000 5.848) 5.953 13.455 ( -2.088 0.000 -2.518) 3.271 13.617 ( 1.044 0.000 -3.341) 3.500 13.675 ( -0.185 0.000 -5.425) 5.428 13.746 ( -8.935 0.000 4.478) 9.994 13.863 ( 2.193 0.000 2.251) 3.143 15.166 ( 2.871 0.000 -1.623) 3.298 15.239 ( 0.733 0.000 0.552) 0.917 15.732 ( -5.987 0.000 2.983) 6.688 15.736 ( -1.473 0.000 -2.980) 3.324 16.351 ( 8.331 0.000 1.320) 8.435 16.646 ( 5.492 0.000 -1.013) 5.585 17.389 ( -5.209 0.000 2.420) 5.744 17.587 ( -3.458 0.000 -0.789) 3.547 18.604 ( 24.039 0.000 11.466) 26.633 19.064 ( 15.385 0.000 -17.283) 23.139 20.020 ( -14.858 0.000 3.768) 15.329 20.040 ( -18.853 0.000 -2.082) 18.968 21.372 ( 1.442 0.000 5.028) 5.230 21.609 ( 3.236 0.000 -8.639) 9.225 22.301 ( -18.969 0.000 3.216) 19.239 22.352 ( -20.505 0.000 -2.604) 20.669 22.557 ( 2.364 0.000 2.503) 3.443 22.765 ( 2.834 0.000 1.828) 3.372 23.235 ( -6.373 0.000 1.394) 6.524 23.308 ( -4.794 0.000 -0.597) 4.831 24.218 ( 0.417 0.000 -8.537) 8.547 24.364 ( -2.359 0.000 10.630) 10.888 24.751 ( -8.208 0.000 4.592) 9.405 24.971 ( -12.452 0.000 -5.997) 13.821 25.645 ( 4.013 0.000 3.584) 5.380 25.829 ( 0.378 0.000 -3.950) 3.968 25.983 ( -4.141 0.000 -2.666) 4.925 26.103 ( -5.868 0.000 2.159) 6.252 26.811 ( 2.658 0.000 -0.628) 2.731 26.896 ( 2.593 0.000 0.729) 2.693 27.100 ( -1.464 0.000 3.799) 4.072 27.152 ( -2.909 0.000 -3.341) 4.430 27.892 ( 3.819 0.000 -1.660) 4.164 28.053 ( 0.786 0.000 1.188) 1.424 28.143 ( -1.532 0.000 -0.756) 1.708 28.174 ( -1.157 0.000 0.523) 1.270 ======================= Grid point 4 (5/64) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 18.361 0.000 -5.064) 19.046 2.108 ( 9.671 0.000 8.468) 12.855 2.305 ( -3.343 0.000 6.876) 7.646 2.311 ( 8.391 0.000 2.532) 8.764 2.458 ( 13.328 0.000 -2.700) 13.599 2.464 ( 1.972 0.000 0.872) 2.156 2.617 ( 5.607 0.000 -6.454) 8.550 2.665 ( 13.310 0.000 1.456) 13.389 2.748 ( 12.577 0.000 3.031) 12.937 2.865 ( -1.453 0.000 -1.484) 2.077 2.988 ( -3.598 0.000 0.761) 3.678 3.027 ( 6.369 0.000 6.723) 9.261 3.086 ( 0.673 0.000 0.738) 0.999 3.111 ( 7.814 0.000 3.941) 8.752 3.113 ( -0.014 0.000 4.526) 4.526 3.223 ( 0.461 0.000 -12.160) 12.169 3.353 ( -6.637 0.000 -1.650) 6.839 3.472 ( 7.193 0.000 -2.054) 7.480 3.631 ( -7.952 0.000 1.215) 8.044 3.632 ( -4.786 0.000 -12.350) 13.245 3.668 ( 2.834 0.000 -0.180) 2.840 3.791 ( -2.343 0.000 1.260) 2.661 3.878 ( -3.376 0.000 -3.193) 4.647 4.020 ( 6.925 0.000 -3.333) 7.685 4.035 ( -4.325 0.000 4.966) 6.585 4.093 ( 2.593 0.000 4.021) 4.784 4.125 ( -0.655 0.000 1.989) 2.094 4.270 ( -0.441 0.000 -2.130) 2.176 4.347 ( 12.423 0.000 -1.222) 12.483 4.478 ( 2.741 0.000 -0.803) 2.856 4.505 ( 8.517 0.000 2.975) 9.022 4.544 ( 3.935 0.000 -2.741) 4.796 4.649 ( 4.182 0.000 3.377) 5.375 4.657 ( 0.676 0.000 0.464) 0.819 4.720 ( 4.275 0.000 -3.577) 5.574 4.774 ( 1.198 0.000 3.938) 4.117 4.923 ( 5.755 0.000 -1.476) 5.941 4.976 ( -4.059 0.000 2.152) 4.594 5.027 ( 1.872 0.000 -6.487) 6.752 5.125 ( -8.947 0.000 5.023) 10.260 5.231 ( 0.303 0.000 -0.110) 0.322 5.247 ( 0.608 0.000 -2.247) 2.328 5.406 ( -4.536 0.000 -6.154) 7.645 5.435 ( -6.043 0.000 4.271) 7.400 5.553 ( -3.122 0.000 0.350) 3.142 5.563 ( 10.277 0.000 1.312) 10.361 5.740 ( -9.899 0.000 -6.592) 11.893 5.831 ( -1.167 0.000 5.859) 5.974 5.975 ( 0.677 0.000 0.320) 0.749 6.013 ( 0.717 0.000 -0.200) 0.744 6.070 ( -4.530 0.000 4.052) 6.078 6.163 ( -8.718 0.000 -6.744) 11.022 6.390 ( -1.133 0.000 2.517) 2.760 6.433 ( -1.287 0.000 -3.933) 4.138 6.710 ( 0.301 0.000 14.879) 14.882 6.868 ( 4.533 0.000 2.560) 5.206 6.947 ( -2.062 0.000 0.745) 2.192 7.076 ( -2.945 0.000 -2.228) 3.692 7.175 ( -1.539 0.000 5.103) 5.330 7.272 ( -10.666 0.000 -11.463) 15.658 7.355 ( -5.056 0.000 -3.632) 6.225 7.479 ( -1.465 0.000 -3.881) 4.149 7.518 ( 0.903 0.000 0.471) 1.018 7.755 ( -1.579 0.000 1.556) 2.217 7.867 ( -0.253 0.000 -3.439) 3.448 7.904 ( 4.470 0.000 2.620) 5.181 8.104 ( -2.327 0.000 6.244) 6.664 8.174 ( -4.532 0.000 1.378) 4.737 8.189 ( -2.850 0.000 -6.077) 6.712 8.363 ( -3.774 0.000 2.405) 4.475 8.455 ( 4.563 0.000 11.207) 12.101 8.743 ( -4.969 0.000 -8.126) 9.525 8.882 ( 1.942 0.000 -9.224) 9.426 9.082 ( 2.506 0.000 3.457) 4.270 9.106 ( -4.195 0.000 3.403) 5.402 9.190 ( 5.375 0.000 -3.048) 6.179 9.328 ( 2.872 0.000 -2.862) 4.054 9.547 ( 1.826 0.000 -2.029) 2.730 9.625 ( -9.926 0.000 2.604) 10.262 9.947 ( -0.698 0.000 11.687) 11.708 10.087 ( 0.503 0.000 0.365) 0.621 10.246 ( -4.359 0.000 -7.070) 8.306 10.407 ( -3.229 0.000 3.032) 4.430 10.504 ( -3.802 0.000 2.713) 4.671 10.664 ( 2.762 0.000 -0.173) 2.767 10.985 ( -1.499 0.000 -1.298) 1.983 10.990 ( 1.504 0.000 -12.320) 12.411 11.057 ( -2.223 0.000 9.465) 9.723 11.223 ( -7.816 0.000 -0.461) 7.830 11.326 ( -0.514 0.000 -3.524) 3.561 11.461 ( 2.600 0.000 -1.262) 2.890 11.670 ( 3.039 0.000 -2.239) 3.775 11.815 ( 2.578 0.000 5.478) 6.054 11.933 ( 1.122 0.000 -5.274) 5.392 12.206 ( -7.155 0.000 0.490) 7.172 12.211 ( -6.485 0.000 5.878) 8.752 12.339 ( 6.782 0.000 8.291) 10.711 12.491 ( -0.972 0.000 -1.715) 1.971 12.876 ( 8.046 0.000 -1.911) 8.270 12.900 ( -5.287 0.000 -6.068) 8.047 12.966 ( -6.358 0.000 -1.786) 6.604 13.315 ( 3.866 0.000 -1.525) 4.156 13.454 ( 1.779 0.000 -1.236) 2.167 13.496 ( -0.395 0.000 4.114) 4.133 13.609 ( -3.292 0.000 5.684) 6.568 13.640 ( 1.053 0.000 -0.364) 1.114 13.655 ( -0.061 0.000 -3.598) 3.599 13.881 ( -0.518 0.000 0.140) 0.536 15.212 ( 1.952 0.000 -0.732) 2.085 15.229 ( -1.278 0.000 -0.713) 1.463 15.643 ( -3.348 0.000 2.257) 4.038 15.691 ( -1.716 0.000 -2.004) 2.638 16.510 ( 6.045 0.000 0.673) 6.082 16.754 ( 5.009 0.000 -0.393) 5.024 17.335 ( -1.480 0.000 3.535) 3.832 17.471 ( -6.202 0.000 -2.529) 6.697 18.951 ( 8.047 0.000 4.286) 9.117 19.295 ( 11.137 0.000 -5.329) 12.346 19.765 ( -10.417 0.000 -1.738) 10.561 19.802 ( -5.322 0.000 1.973) 5.676 21.433 ( 3.809 0.000 4.097) 5.594 21.650 ( 3.685 0.000 -7.483) 8.341 21.941 ( -17.800 0.000 -4.205) 18.290 21.997 ( -12.195 0.000 5.625) 13.429 22.663 ( 7.058 0.000 1.385) 7.193 22.858 ( 5.724 0.000 0.923) 5.798 23.086 ( -8.596 0.000 1.165) 8.674 23.178 ( -7.444 0.000 -0.819) 7.488 24.181 ( -0.973 0.000 -4.728) 4.827 24.336 ( -2.759 0.000 5.061) 5.764 24.640 ( -3.822 0.000 2.646) 4.648 24.768 ( -5.946 0.000 -3.057) 6.686 25.732 ( 3.134 0.000 1.841) 3.635 25.824 ( 0.202 0.000 -1.923) 1.933 25.900 ( -2.940 0.000 -1.834) 3.465 26.014 ( -3.373 0.000 1.438) 3.666 26.862 ( 2.227 0.000 0.273) 2.244 26.939 ( 1.641 0.000 0.176) 1.650 27.071 ( -1.997 0.000 1.730) 2.642 27.082 ( -2.641 0.000 -2.006) 3.317 27.942 ( 1.709 0.000 -0.814) 1.893 28.070 ( 0.445 0.000 1.125) 1.210 28.108 ( -1.373 0.000 -0.947) 1.668 28.146 ( -1.454 0.000 0.377) 1.502 ======================= Grid point 5 (6/64) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 0.000 0.000 -0.000) 0.000 2.257 ( -0.000 0.000 0.000) 0.000 2.325 ( -0.000 0.000 0.000) 0.000 2.377 ( 0.000 0.000 -0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.688 ( -0.000 0.000 -0.000) 0.000 2.794 ( 0.000 0.000 -0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 2.873 ( -0.000 0.000 -0.000) 0.000 2.886 ( 0.000 0.000 0.000) 0.000 3.079 ( -0.000 0.000 0.000) 0.000 3.117 ( -0.000 0.000 -0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.173 ( -0.000 0.000 -0.000) 0.000 3.213 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.494 ( 0.000 0.000 0.000) 0.000 3.525 ( 0.000 0.000 -0.000) 0.000 3.671 ( 0.000 0.000 -0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.683 ( -0.000 0.000 0.000) 0.000 3.887 ( 0.000 0.000 0.000) 0.000 3.975 ( 0.000 0.000 0.000) 0.000 4.097 ( 0.000 0.000 -0.000) 0.000 4.134 ( 0.000 0.000 -0.000) 0.000 4.142 ( -0.000 0.000 0.000) 0.000 4.252 ( 0.000 0.000 -0.000) 0.000 4.419 ( 0.000 0.000 -0.000) 0.000 4.572 ( 0.000 0.000 0.000) 0.000 4.596 ( 0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 -0.000) 0.000 4.674 ( 0.000 0.000 0.000) 0.000 4.701 ( 0.000 0.000 0.000) 0.000 4.774 ( 0.000 0.000 0.000) 0.000 4.792 ( 0.000 0.000 -0.000) 0.000 4.928 ( 0.000 0.000 -0.000) 0.000 4.970 ( 0.000 0.000 0.000) 0.000 4.982 ( -0.000 0.000 0.000) 0.000 5.025 ( -0.000 0.000 -0.000) 0.000 5.237 ( 0.000 0.000 0.000) 0.000 5.279 ( -0.000 0.000 0.000) 0.000 5.350 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.507 ( 0.000 0.000 -0.000) 0.000 5.566 ( 0.000 0.000 0.000) 0.000 5.732 ( 0.000 0.000 0.000) 0.000 5.811 ( -0.000 0.000 0.000) 0.000 5.948 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 0.000 -0.000) 0.000 6.029 ( 0.000 0.000 -0.000) 0.000 6.083 ( 0.000 0.000 0.000) 0.000 6.382 ( 0.000 0.000 0.000) 0.000 6.417 ( 0.000 0.000 -0.000) 0.000 6.821 ( 0.000 0.000 0.000) 0.000 6.922 ( 0.000 0.000 0.000) 0.000 6.947 ( 0.000 0.000 0.000) 0.000 6.974 ( -0.000 0.000 -0.000) 0.000 7.104 ( 0.000 0.000 -0.000) 0.000 7.221 ( -0.000 0.000 -0.000) 0.000 7.231 ( 0.000 0.000 0.000) 0.000 7.468 ( 0.000 0.000 0.000) 0.000 7.539 ( 0.000 0.000 -0.000) 0.000 7.738 ( 0.000 0.000 0.000) 0.000 7.873 ( 0.000 0.000 0.000) 0.000 7.976 ( 0.000 0.000 0.000) 0.000 8.100 ( 0.000 0.000 -0.000) 0.000 8.111 ( -0.000 0.000 0.000) 0.000 8.120 ( 0.000 0.000 0.000) 0.000 8.336 ( 0.000 0.000 0.000) 0.000 8.572 ( -0.000 0.000 -0.000) 0.000 8.624 ( 0.000 0.000 0.000) 0.000 8.913 ( 0.000 0.000 -0.000) 0.000 9.023 ( 0.000 0.000 0.000) 0.000 9.118 ( 0.000 0.000 0.000) 0.000 9.265 ( 0.000 0.000 0.000) 0.000 9.362 ( 0.000 0.000 -0.000) 0.000 9.518 ( 0.000 0.000 -0.000) 0.000 9.549 ( 0.000 0.000 0.000) 0.000 10.001 ( 0.000 0.000 -0.000) 0.000 10.099 ( 0.000 0.000 0.000) 0.000 10.134 ( 0.000 0.000 0.000) 0.000 10.401 ( 0.000 0.000 0.000) 0.000 10.469 ( 0.000 0.000 -0.000) 0.000 10.695 ( 0.000 0.000 0.000) 0.000 10.959 ( 0.000 0.000 0.000) 0.000 11.013 ( 0.000 0.000 0.000) 0.000 11.029 ( 0.000 0.000 -0.000) 0.000 11.130 ( 0.000 0.000 0.000) 0.000 11.308 ( 0.000 0.000 0.000) 0.000 11.476 ( 0.000 0.000 -0.000) 0.000 11.721 ( 0.000 0.000 0.000) 0.000 11.799 ( 0.000 0.000 0.000) 0.000 12.067 ( -0.000 0.000 0.000) 0.000 12.068 ( 0.000 0.000 -0.000) 0.000 12.122 ( 0.000 0.000 0.000) 0.000 12.480 ( 0.000 0.000 0.000) 0.000 12.505 ( 0.000 0.000 0.000) 0.000 12.703 ( 0.000 0.000 -0.000) 0.000 12.947 ( 0.000 0.000 -0.000) 0.000 12.973 ( 0.000 0.000 0.000) 0.000 13.347 ( 0.000 0.000 -0.000) 0.000 13.451 ( 0.000 0.000 -0.000) 0.000 13.477 ( 0.000 0.000 0.000) 0.000 13.634 ( 0.000 0.000 0.000) 0.000 13.647 ( -0.000 0.000 0.000) 0.000 13.650 ( 0.000 0.000 -0.000) 0.000 13.869 ( 0.000 0.000 0.000) 0.000 15.209 ( 0.000 0.000 0.000) 0.000 15.232 ( 0.000 0.000 0.000) 0.000 15.614 ( 0.000 0.000 0.000) 0.000 15.667 ( 0.000 0.000 0.000) 0.000 16.576 ( 0.000 0.000 -0.000) 0.000 16.814 ( 0.000 0.000 -0.000) 0.000 17.332 ( 0.000 0.000 0.000) 0.000 17.387 ( 0.000 0.000 0.000) 0.000 19.025 ( 0.000 0.000 0.000) 0.000 19.436 ( 0.000 0.000 -0.000) 0.000 19.620 ( 0.000 0.000 0.000) 0.000 19.768 ( 0.000 0.000 0.000) 0.000 21.549 ( -0.000 0.000 -0.000) 0.000 21.673 ( 0.000 0.000 0.000) 0.000 21.687 ( 0.000 0.000 -0.000) 0.000 21.870 ( 0.000 0.000 0.000) 0.000 22.790 ( 0.000 0.000 0.000) 0.000 22.949 ( 0.000 0.000 -0.000) 0.000 22.972 ( 0.000 0.000 0.000) 0.000 23.045 ( 0.000 0.000 0.000) 0.000 24.161 ( 0.000 0.000 0.000) 0.000 24.313 ( 0.000 0.000 0.000) 0.000 24.608 ( 0.000 0.000 0.000) 0.000 24.703 ( 0.000 0.000 0.000) 0.000 25.770 ( 0.000 0.000 -0.000) 0.000 25.823 ( 0.000 0.000 -0.000) 0.000 25.864 ( 0.000 0.000 0.000) 0.000 25.981 ( 0.000 0.000 -0.000) 0.000 26.889 ( 0.000 0.000 -0.000) 0.000 26.960 ( 0.000 0.000 0.000) 0.000 27.047 ( 0.000 0.000 -0.000) 0.000 27.050 ( 0.000 0.000 0.000) 0.000 27.958 ( 0.000 0.000 0.000) 0.000 28.080 ( -0.000 0.000 -0.000) 0.000 28.088 ( 0.000 0.000 0.000) 0.000 28.130 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/64) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( 0.000 22.592 0.000) 22.592 0.605 ( 0.000 30.926 0.000) 30.926 0.681 ( 0.000 34.403 0.000) 34.403 1.382 ( 0.000 8.968 0.000) 8.968 2.019 ( 0.000 -11.749 0.000) 11.749 2.082 ( 0.000 0.918 0.000) 0.918 2.142 ( 0.000 -1.672 0.000) 1.672 2.271 ( 0.000 -1.130 0.000) 1.130 2.430 ( 0.000 -3.811 0.000) 3.811 2.637 ( 0.000 -4.187 0.000) 4.187 2.720 ( 0.000 -1.431 0.000) 1.431 2.835 ( 0.000 -1.949 0.000) 1.949 2.863 ( 0.000 -5.639 0.000) 5.639 2.903 ( 0.000 -4.608 0.000) 4.608 2.945 ( 0.000 -4.311 0.000) 4.311 3.077 ( 0.000 -0.349 0.000) 0.349 3.161 ( 0.000 6.738 0.000) 6.738 3.261 ( 0.000 -5.602 0.000) 5.602 3.333 ( 0.000 3.715 0.000) 3.715 3.355 ( 0.000 6.307 0.000) 6.307 3.549 ( 0.000 -4.258 0.000) 4.258 3.556 ( 0.000 3.356 0.000) 3.356 3.677 ( 0.000 2.609 0.000) 2.609 3.828 ( 0.000 -2.324 0.000) 2.324 3.929 ( 0.000 -2.045 0.000) 2.045 3.961 ( 0.000 -9.727 0.000) 9.727 4.101 ( 0.000 0.873 0.000) 0.873 4.139 ( 0.000 -4.237 0.000) 4.237 4.181 ( 0.000 -3.352 0.000) 3.352 4.322 ( 0.000 1.968 0.000) 1.968 4.424 ( 0.000 -3.411 0.000) 3.411 4.523 ( 0.000 2.769 0.000) 2.769 4.530 ( 0.000 -0.253 0.000) 0.253 4.562 ( 0.000 2.918 0.000) 2.918 4.630 ( 0.000 4.425 0.000) 4.425 4.810 ( 0.000 -1.644 0.000) 1.644 4.838 ( 0.000 12.281 0.000) 12.281 4.985 ( 0.000 1.706 0.000) 1.706 5.005 ( 0.000 4.034 0.000) 4.034 5.102 ( 0.000 1.741 0.000) 1.741 5.123 ( 0.000 1.503 0.000) 1.503 5.314 ( 0.000 -1.776 0.000) 1.776 5.485 ( 0.000 -3.414 0.000) 3.414 5.581 ( 0.000 -1.002 0.000) 1.002 5.585 ( 0.000 -4.593 0.000) 4.593 5.670 ( 0.000 -2.997 0.000) 2.997 5.722 ( 0.000 0.380 0.000) 0.380 5.852 ( 0.000 -3.182 0.000) 3.182 6.089 ( 0.000 1.745 0.000) 1.745 6.109 ( 0.000 6.045 0.000) 6.045 6.321 ( 0.000 10.450 0.000) 10.450 6.398 ( 0.000 -1.092 0.000) 1.092 6.474 ( 0.000 2.922 0.000) 2.922 6.617 ( 0.000 0.854 0.000) 0.854 6.676 ( 0.000 6.275 0.000) 6.275 6.688 ( 0.000 -6.819 0.000) 6.819 6.898 ( 0.000 -2.166 0.000) 2.166 7.148 ( 0.000 -3.698 0.000) 3.698 7.268 ( 0.000 -0.005 0.000) 0.005 7.369 ( 0.000 2.891 0.000) 2.891 7.478 ( 0.000 0.239 0.000) 0.239 7.555 ( 0.000 -0.457 0.000) 0.457 7.740 ( 0.000 2.000 0.000) 2.000 7.759 ( 0.000 -1.097 0.000) 1.097 7.896 ( 0.000 -0.237 0.000) 0.237 8.071 ( 0.000 -4.345 0.000) 4.345 8.246 ( 0.000 -2.017 0.000) 2.017 8.321 ( 0.000 -4.163 0.000) 4.163 8.483 ( 0.000 -6.100 0.000) 6.100 8.615 ( 0.000 2.818 0.000) 2.818 8.724 ( 0.000 3.737 0.000) 3.737 8.816 ( 0.000 -0.322 0.000) 0.322 8.945 ( 0.000 -8.487 0.000) 8.487 8.995 ( 0.000 -0.321 0.000) 0.321 9.056 ( 0.000 3.080 0.000) 3.080 9.291 ( 0.000 -0.976 0.000) 0.976 9.422 ( 0.000 2.449 0.000) 2.449 9.527 ( 0.000 1.277 0.000) 1.277 10.023 ( 0.000 -3.218 0.000) 3.218 10.027 ( 0.000 -1.710 0.000) 1.710 10.163 ( 0.000 0.198 0.000) 0.198 10.194 ( 0.000 -0.636 0.000) 0.636 10.619 ( 0.000 -0.164 0.000) 0.164 10.768 ( 0.000 -5.191 0.000) 5.191 10.853 ( 0.000 -3.081 0.000) 3.081 10.881 ( 0.000 -2.386 0.000) 2.386 11.051 ( 0.000 -2.367 0.000) 2.367 11.256 ( 0.000 -3.174 0.000) 3.174 11.257 ( 0.000 13.016 0.000) 13.016 11.577 ( 0.000 0.938 0.000) 0.938 11.751 ( 0.000 0.295 0.000) 0.295 11.859 ( 0.000 0.481 0.000) 0.481 11.952 ( 0.000 1.248 0.000) 1.248 12.054 ( 0.000 1.914 0.000) 1.914 12.126 ( 0.000 1.004 0.000) 1.004 12.411 ( 0.000 -3.594 0.000) 3.594 12.471 ( 0.000 -0.745 0.000) 0.745 12.563 ( 0.000 3.204 0.000) 3.204 12.577 ( 0.000 -3.425 0.000) 3.425 12.779 ( 0.000 0.967 0.000) 0.967 12.786 ( 0.000 -2.448 0.000) 2.448 13.182 ( 0.000 -4.489 0.000) 4.489 13.377 ( 0.000 -2.374 0.000) 2.374 13.400 ( 0.000 -2.154 0.000) 2.154 13.920 ( 0.000 -0.734 0.000) 0.734 14.011 ( 0.000 2.264 0.000) 2.264 14.046 ( 0.000 -0.363 0.000) 0.363 14.077 ( 0.000 -1.114 0.000) 1.114 15.151 ( 0.000 8.164 0.000) 8.164 15.232 ( 0.000 6.583 0.000) 6.583 15.686 ( 0.000 -1.691 0.000) 1.691 15.962 ( 0.000 -0.006 0.000) 0.006 15.967 ( 0.000 -5.586 0.000) 5.586 16.046 ( 0.000 -1.679 0.000) 1.679 16.470 ( 0.000 1.972 0.000) 1.972 16.571 ( 0.000 1.425 0.000) 1.425 17.570 ( 0.000 0.851 0.000) 0.851 17.729 ( 0.000 -1.868 0.000) 1.868 20.189 ( 0.000 8.416 0.000) 8.416 21.428 ( 0.000 -11.035 0.000) 11.035 21.628 ( 0.000 0.930 0.000) 0.930 21.785 ( 0.000 -0.949 0.000) 0.949 21.791 ( 0.000 2.278 0.000) 2.278 22.493 ( 0.000 -14.484 0.000) 14.484 23.088 ( 0.000 5.381 0.000) 5.381 23.444 ( 0.000 0.069 0.000) 0.069 23.666 ( 0.000 10.855 0.000) 10.855 23.681 ( 0.000 -4.506 0.000) 4.506 23.764 ( 0.000 -2.775 0.000) 2.775 24.278 ( 0.000 -5.903 0.000) 5.903 25.017 ( 0.000 2.412 0.000) 2.412 25.231 ( 0.000 -4.364 0.000) 4.364 25.385 ( 0.000 3.944 0.000) 3.944 26.039 ( 0.000 -8.831 0.000) 8.831 26.188 ( 0.000 -4.097 0.000) 4.097 26.379 ( 0.000 -1.163 0.000) 1.163 26.771 ( 0.000 4.535 0.000) 4.535 27.042 ( 0.000 3.264 0.000) 3.264 27.187 ( 0.000 -0.251 0.000) 0.251 27.238 ( 0.000 -0.253 0.000) 0.253 27.535 ( 0.000 8.272 0.000) 8.272 27.929 ( 0.000 -0.955 0.000) 0.955 28.128 ( 0.000 -1.151 0.000) 1.151 28.139 ( 0.000 -0.936 0.000) 0.936 ======================= Grid point 12 (8/64) ======================= q-point: ( 0.10 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 17.168 13.983 -13.270) 25.813 0.772 ( 21.765 12.924 -1.912) 25.385 1.340 ( 24.214 19.603 13.282) 33.868 1.544 ( -12.539 3.339 -16.715) 21.160 1.702 ( 31.989 7.476 6.254) 33.441 2.141 ( 1.365 -7.477 5.315) 9.274 2.210 ( 7.408 -5.503 -14.903) 17.529 2.427 ( 1.131 -3.796 1.579) 4.264 2.500 ( -2.171 -0.263 8.994) 9.256 2.687 ( 4.533 0.746 -3.774) 5.945 2.740 ( 2.766 -5.312 0.340) 5.998 2.861 ( 3.985 -3.286 -0.653) 5.206 2.877 ( 2.844 -1.696 -0.146) 3.314 2.921 ( 3.398 -3.215 -1.138) 4.814 2.996 ( -0.823 -4.351 2.158) 4.926 3.113 ( 3.885 -4.001 5.497) 7.831 3.152 ( 0.557 0.478 -1.572) 1.735 3.279 ( -2.167 -4.485 -3.640) 6.169 3.359 ( 4.414 -0.544 5.749) 7.269 3.406 ( 5.538 3.009 0.411) 6.316 3.563 ( 6.176 4.995 -2.139) 8.226 3.644 ( 2.356 -0.084 0.276) 2.374 3.714 ( 8.676 1.068 -5.153) 10.147 3.852 ( 0.950 -3.860 0.865) 4.068 3.913 ( -2.905 -1.500 3.465) 4.764 3.974 ( 1.161 -4.842 5.119) 7.141 4.068 ( -6.155 -0.613 3.506) 7.110 4.129 ( -0.814 -4.761 -4.910) 6.887 4.191 ( 2.069 -1.723 1.545) 3.105 4.231 ( 3.908 1.442 -5.748) 7.099 4.409 ( -1.990 2.121 -6.008) 6.675 4.503 ( 0.774 6.469 3.737) 7.511 4.546 ( -0.681 1.774 0.305) 1.924 4.580 ( 0.118 3.247 6.765) 7.505 4.710 ( 2.965 1.278 -4.143) 5.252 4.750 ( -1.674 10.064 -2.100) 10.416 4.786 ( 2.254 2.850 1.189) 3.823 4.940 ( -5.027 4.962 0.919) 7.123 5.040 ( 4.135 -0.386 1.317) 4.357 5.088 ( 0.729 -0.314 1.347) 1.564 5.211 ( 2.619 -1.871 -4.387) 5.441 5.320 ( -1.400 0.535 -0.705) 1.656 5.450 ( 1.434 -0.167 3.646) 3.921 5.467 ( -0.609 -2.438 -2.194) 3.336 5.558 ( -0.359 0.608 -5.337) 5.383 5.697 ( 4.496 -0.834 0.417) 4.592 5.768 ( 1.245 -5.045 0.983) 5.288 5.941 ( 1.780 -4.754 4.519) 6.797 6.046 ( -4.094 2.253 1.607) 4.941 6.160 ( -0.766 4.044 2.710) 4.928 6.273 ( -4.039 9.062 0.197) 9.923 6.455 ( -1.320 3.153 -3.027) 4.566 6.512 ( -3.320 0.108 -5.986) 6.846 6.624 ( -1.452 -1.625 0.973) 2.387 6.730 ( 5.252 -5.718 3.330) 8.448 6.892 ( 0.142 0.992 -0.899) 1.346 7.125 ( -2.202 -2.808 0.818) 3.661 7.178 ( 6.613 -2.256 -8.210) 10.780 7.313 ( 12.047 -9.575 -15.750) 22.020 7.393 ( 0.168 -0.888 6.878) 6.937 7.491 ( -1.803 -0.481 -2.544) 3.155 7.558 ( 4.079 0.317 -3.600) 5.450 7.688 ( -4.447 -1.564 0.290) 4.723 7.830 ( -0.653 -0.619 2.772) 2.914 7.931 ( 3.919 -3.753 -0.292) 5.434 8.005 ( -5.616 -4.437 -1.609) 7.336 8.115 ( -3.960 0.252 3.668) 5.404 8.317 ( -2.598 -1.096 -4.561) 5.363 8.477 ( -1.658 -3.346 -1.850) 4.167 8.601 ( -2.742 2.764 2.429) 4.589 8.730 ( -2.714 -7.418 7.602) 10.963 8.817 ( -1.216 -5.059 -5.933) 7.891 8.911 ( -0.468 -0.169 3.262) 3.299 8.962 ( -5.378 -0.000 -6.235) 8.234 9.104 ( 2.349 -0.700 8.141) 8.502 9.288 ( -2.484 -1.508 1.318) 3.190 9.387 ( -2.224 2.114 -1.620) 3.470 9.547 ( 2.372 0.690 -3.461) 4.252 9.829 ( -5.456 4.162 11.661) 13.531 10.066 ( -2.636 0.814 -3.220) 4.240 10.224 ( 3.159 -6.101 4.695) 8.321 10.296 ( 4.932 -2.287 1.110) 5.548 10.612 ( -0.493 -0.371 -1.270) 1.412 10.699 ( -5.955 -1.320 1.153) 6.207 10.826 ( -4.508 -2.967 5.634) 7.802 10.903 ( 3.334 -1.909 -3.841) 5.433 11.011 ( -2.869 -0.824 3.284) 4.438 11.199 ( -0.370 6.135 -5.377) 8.166 11.307 ( -2.452 5.547 -0.721) 6.107 11.449 ( -3.878 4.095 -0.279) 5.647 11.606 ( -2.305 3.819 8.974) 10.021 11.636 ( -7.418 1.474 -8.382) 11.290 11.893 ( -0.787 -1.439 1.267) 2.073 12.006 ( -0.193 2.285 3.396) 4.098 12.383 ( -6.247 -6.622 -2.697) 9.495 12.411 ( 0.302 -1.714 2.125) 2.747 12.460 ( -4.599 -0.764 -1.376) 4.861 12.536 ( 0.114 -4.735 4.234) 6.353 12.603 ( 2.474 3.859 -0.199) 4.588 12.741 ( 4.624 -1.483 -1.757) 5.164 12.811 ( -0.619 -0.835 3.419) 3.574 13.272 ( 2.811 -6.336 3.735) 7.874 13.393 ( 6.073 1.304 2.258) 6.609 13.489 ( 4.277 -2.523 -3.626) 6.149 13.756 ( -8.728 1.358 -1.792) 9.013 13.864 ( -5.724 0.309 -1.666) 5.970 13.989 ( -8.311 3.336 -0.719) 8.985 14.027 ( -4.292 1.608 2.619) 5.279 15.114 ( 1.844 7.623 0.264) 7.848 15.199 ( 3.151 8.692 0.151) 9.247 15.798 ( -1.345 -0.244 -3.596) 3.847 15.887 ( -3.984 -4.539 3.959) 7.222 16.065 ( 3.243 -4.124 2.731) 5.915 16.420 ( 5.220 -7.071 -0.828) 8.828 17.004 ( 39.028 -1.633 5.163) 39.402 17.568 ( 3.924 -1.416 -2.203) 4.718 17.663 ( -4.075 -1.664 -2.024) 4.845 17.862 ( 68.043 -44.434 -38.739) 90.028 20.357 ( 0.028 -4.583 36.805) 37.090 21.183 ( -24.653 -9.946 -4.942) 27.039 21.414 ( -8.576 9.555 1.857) 12.973 21.634 ( -3.889 6.334 -1.766) 7.640 22.137 ( 14.103 -22.430 3.660) 26.747 22.476 ( -1.885 -13.392 -2.321) 13.722 23.075 ( -2.830 3.100 -2.912) 5.109 23.312 ( -18.529 8.805 -2.295) 20.643 23.384 ( -5.416 0.305 0.317) 5.434 23.522 ( -10.582 0.788 1.724) 10.751 23.997 ( 10.231 -1.695 -2.456) 10.658 24.275 ( -1.425 -4.200 14.356) 15.025 25.056 ( -2.710 1.926 10.328) 10.850 25.299 ( 1.038 -7.892 -2.986) 8.501 25.536 ( 9.017 -5.896 -9.162) 14.143 26.041 ( -8.178 -2.353 3.240) 9.106 26.049 ( -1.106 -2.965 -3.145) 4.461 26.347 ( -4.369 -1.419 1.290) 4.772 26.759 ( 0.551 3.826 -4.345) 5.815 26.987 ( -8.004 9.587 1.107) 12.538 27.078 ( 0.928 1.850 4.227) 4.706 27.293 ( -1.851 9.282 -5.402) 10.898 27.524 ( 7.572 -5.637 -1.034) 9.496 28.006 ( 1.236 -2.970 1.308) 3.473 28.117 ( 1.237 -0.934 0.541) 1.641 28.196 ( 3.008 1.023 0.349) 3.197 ======================= Grid point 13 (9/64) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 32.971 -1.230 -2.574) 33.095 1.239 ( 26.504 8.886 -0.477) 27.958 1.572 ( 17.565 3.313 -4.422) 18.414 1.796 ( 19.419 10.319 5.313) 22.623 2.076 ( 5.934 -7.217 -7.039) 11.698 2.261 ( 4.767 -8.054 -9.083) 13.042 2.380 ( -5.056 2.691 5.513) 7.950 2.409 ( -2.483 -4.785 2.336) 5.875 2.679 ( 11.272 -1.583 -3.469) 11.900 2.749 ( 19.271 2.881 5.203) 20.168 2.802 ( 8.161 -0.065 2.232) 8.461 2.906 ( 1.596 -0.361 1.084) 1.963 2.948 ( 1.563 -1.253 -1.414) 2.452 3.015 ( 4.940 -2.088 4.023) 6.705 3.035 ( 4.402 -1.720 3.752) 6.034 3.131 ( -0.443 1.415 3.666) 3.954 3.192 ( 0.753 -5.534 5.461) 7.811 3.319 ( 7.940 -4.311 -2.439) 9.358 3.475 ( 3.634 -1.695 -1.321) 4.222 3.501 ( 3.341 -2.130 0.405) 3.983 3.639 ( -2.007 -1.781 -4.786) 5.487 3.745 ( 6.298 1.792 2.477) 7.000 3.822 ( 3.972 1.975 -0.386) 4.452 3.888 ( 7.936 -1.186 -2.309) 8.349 3.908 ( -3.235 -6.035 0.910) 6.908 4.017 ( 4.335 3.939 -2.395) 6.328 4.060 ( 3.565 -5.453 0.764) 6.559 4.120 ( 0.990 -3.553 -1.906) 4.152 4.204 ( 2.548 5.351 -0.163) 5.929 4.327 ( 2.346 -1.084 -6.417) 6.918 4.410 ( 3.185 3.162 -3.614) 5.763 4.492 ( -0.602 3.330 0.426) 3.411 4.535 ( -1.772 1.715 0.765) 2.582 4.653 ( 3.910 3.181 10.573) 11.713 4.697 ( 1.834 3.281 -0.307) 3.771 4.743 ( -2.347 6.865 -0.593) 7.279 4.826 ( 0.506 8.264 -1.478) 8.410 4.916 ( 3.536 0.798 -0.041) 3.625 5.084 ( 0.494 2.085 -8.118) 8.396 5.110 ( 1.979 -1.232 -1.449) 2.744 5.247 ( 1.879 -3.207 5.667) 6.777 5.375 ( 3.830 -3.060 3.044) 5.770 5.428 ( -1.406 3.966 -8.393) 9.389 5.458 ( -2.307 -2.405 2.381) 4.096 5.564 ( 1.412 -1.547 -0.157) 2.100 5.710 ( -5.430 -5.466 -0.867) 7.754 5.798 ( 3.765 0.274 0.632) 3.827 5.891 ( -3.445 2.308 3.051) 5.148 6.001 ( -5.188 2.360 1.097) 5.804 6.132 ( -2.588 1.752 0.400) 3.151 6.260 ( 2.086 -0.075 1.935) 2.846 6.309 ( -7.030 2.325 -0.156) 7.406 6.501 ( -0.687 3.572 -2.497) 4.412 6.568 ( -1.623 -5.516 1.183) 5.871 6.776 ( -3.210 -2.478 5.480) 6.817 6.847 ( -5.198 0.183 -5.716) 7.728 7.096 ( -2.424 -1.529 3.093) 4.216 7.236 ( 1.119 2.934 4.655) 5.615 7.295 ( -4.287 -0.788 -5.436) 6.968 7.417 ( 0.012 -2.756 -6.514) 7.073 7.478 ( -0.160 -1.708 -2.242) 2.823 7.601 ( 1.087 -1.975 1.448) 2.679 7.659 ( -1.936 -4.029 8.644) 9.731 7.729 ( -3.845 0.179 0.201) 3.854 7.854 ( -5.701 0.433 1.015) 5.807 7.994 ( 2.241 0.105 -7.994) 8.303 8.142 ( 1.500 2.147 3.098) 4.057 8.199 ( -5.800 -4.291 -2.369) 7.594 8.421 ( -3.710 -0.887 -0.545) 3.853 8.488 ( -7.080 4.620 -2.901) 8.938 8.624 ( -9.082 -3.676 6.906) 11.987 8.798 ( 1.134 -6.587 -1.056) 6.767 8.857 ( -1.449 -2.705 -9.907) 10.372 8.925 ( 0.979 -1.223 -1.751) 2.350 9.131 ( -1.183 1.443 4.973) 5.312 9.209 ( -4.099 -1.730 0.759) 4.513 9.366 ( 0.594 3.214 -0.795) 3.364 9.550 ( -0.491 5.457 -4.342) 6.991 9.857 ( 0.692 -0.975 14.366) 14.416 9.983 ( -4.241 -0.842 -1.936) 4.738 10.232 ( -5.201 -4.988 0.566) 7.228 10.342 ( 0.002 -3.082 -1.608) 3.476 10.566 ( -4.219 -1.834 -0.868) 4.681 10.608 ( -0.548 2.568 -2.131) 3.382 10.732 ( -6.876 -1.113 7.737) 10.411 10.942 ( 0.599 -3.015 -3.301) 4.510 10.999 ( 1.220 -0.736 2.799) 3.140 11.191 ( 0.028 1.516 -6.485) 6.660 11.252 ( 1.004 5.570 -0.251) 5.665 11.438 ( -2.977 -1.048 -2.356) 3.938 11.489 ( -2.863 3.971 -1.910) 5.255 11.604 ( -0.612 2.808 8.179) 8.669 11.815 ( -5.047 0.656 -3.896) 6.409 12.036 ( -0.424 -2.627 4.987) 5.653 12.247 ( -5.246 -2.234 0.522) 5.726 12.379 ( -2.533 -0.153 1.985) 3.222 12.429 ( -3.192 0.003 0.777) 3.285 12.505 ( 2.984 -2.735 -0.693) 4.107 12.662 ( 3.928 2.895 -6.680) 8.272 12.795 ( -0.262 -2.005 4.262) 4.718 12.937 ( 10.274 -2.353 4.096) 11.308 13.299 ( 0.388 -0.565 -3.654) 3.718 13.455 ( -3.941 -2.468 -2.333) 5.203 13.538 ( 1.287 -2.473 4.084) 4.945 13.665 ( -2.468 2.250 -2.207) 4.003 13.728 ( -5.182 -0.028 -5.257) 7.382 13.836 ( -2.492 3.672 1.345) 4.637 13.930 ( -6.266 2.043 3.731) 7.573 15.158 ( 2.075 5.343 -0.486) 5.752 15.272 ( 3.431 7.406 -0.189) 8.164 15.758 ( -1.978 -1.382 -3.875) 4.565 15.813 ( -4.366 -3.148 3.792) 6.584 16.159 ( 6.385 -3.112 1.136) 7.193 16.520 ( 4.946 -3.565 -0.451) 6.114 17.519 ( -7.018 -0.227 -0.173) 7.024 17.597 ( 0.370 -0.984 1.196) 1.592 17.897 ( 40.094 -0.359 9.929) 41.307 18.640 ( 29.097 -15.145 -28.585) 43.510 20.291 ( -14.085 -1.224 16.352) 21.616 20.566 ( -28.996 -1.841 -4.895) 29.464 21.365 ( 0.520 5.029 4.357) 6.674 21.617 ( 1.914 3.916 -6.455) 7.788 22.278 ( -1.125 -21.157 3.947) 21.552 22.419 ( -2.967 -12.701 -0.458) 13.051 22.892 ( -13.217 5.849 -0.319) 14.457 22.946 ( -15.309 9.172 0.255) 17.848 23.288 ( -4.528 -3.198 1.073) 5.646 23.372 ( -5.150 -1.353 -0.467) 5.345 24.132 ( 4.921 -4.005 -6.183) 8.859 24.313 ( 0.135 -3.601 11.754) 12.294 24.974 ( -8.353 4.277 5.986) 11.130 25.187 ( -10.300 -7.687 -6.161) 14.253 25.587 ( 2.147 1.368 0.485) 2.592 25.913 ( -3.667 3.759 -1.250) 5.399 26.029 ( -1.657 -3.298 -3.081) 4.807 26.235 ( -6.528 0.199 2.192) 6.889 26.779 ( 2.297 2.059 -2.618) 4.046 26.904 ( -1.171 5.599 1.538) 5.923 27.108 ( -0.115 0.520 3.844) 3.881 27.245 ( -1.912 4.742 -3.417) 6.150 27.671 ( 6.402 -9.073 -1.725) 11.238 28.006 ( -0.462 -5.076 0.320) 5.107 28.158 ( 1.796 2.662 0.454) 3.243 28.241 ( 1.147 2.796 0.179) 3.027 ======================= Grid point 14 (10/64) ======================= q-point: ( 0.30 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 32.521 -1.273 0.361) 32.547 1.737 ( 18.356 1.223 3.582) 18.742 2.049 ( 24.833 0.911 0.321) 24.851 2.121 ( 8.514 -2.153 3.392) 9.415 2.211 ( 9.084 -5.259 -4.325) 11.352 2.281 ( 5.589 -7.264 -0.822) 9.202 2.400 ( 4.584 2.060 4.078) 6.472 2.448 ( 5.081 -4.090 1.315) 6.654 2.633 ( 0.377 2.509 -4.633) 5.282 2.895 ( -0.637 0.185 -3.021) 3.093 2.912 ( 6.025 3.424 -1.248) 7.042 2.955 ( 2.266 -0.710 4.674) 5.243 3.016 ( 0.664 -3.221 3.753) 4.990 3.083 ( -1.325 0.049 7.925) 8.035 3.192 ( 3.860 2.852 0.364) 4.813 3.230 ( 3.138 0.387 3.066) 4.404 3.331 ( 3.296 -3.670 -2.595) 5.574 3.439 ( -3.130 0.943 -2.885) 4.360 3.576 ( 4.779 -2.793 -5.757) 7.986 3.611 ( 6.576 -2.082 -0.521) 6.917 3.664 ( 20.385 -3.354 0.947) 20.680 3.787 ( -0.842 -3.602 -5.313) 6.474 3.845 ( -0.302 -1.448 -0.680) 1.628 3.960 ( 5.162 1.072 -0.490) 5.295 3.990 ( -2.729 -0.032 -3.856) 4.724 4.050 ( -0.452 -2.268 2.166) 3.169 4.134 ( 8.754 3.555 1.492) 9.566 4.213 ( 8.923 -0.891 -0.444) 8.978 4.253 ( -6.101 0.940 0.195) 6.176 4.311 ( 4.546 2.459 -1.515) 5.386 4.444 ( 1.951 -1.336 2.194) 3.226 4.514 ( 1.523 1.320 -3.230) 3.807 4.542 ( 3.968 2.507 -0.963) 4.791 4.648 ( -3.688 2.824 0.212) 4.650 4.790 ( 4.206 -0.214 -0.899) 4.306 4.816 ( 5.511 9.924 4.278) 12.131 4.827 ( 1.959 8.661 -0.961) 8.932 4.989 ( 1.914 1.020 4.348) 4.859 5.056 ( -0.065 1.767 -9.196) 9.365 5.163 ( 3.603 -1.104 -4.048) 5.530 5.249 ( -4.304 -1.539 4.121) 6.154 5.333 ( -2.730 3.579 -2.036) 4.940 5.415 ( -2.358 -3.459 4.399) 6.073 5.467 ( 1.976 -0.705 -0.314) 2.121 5.568 ( -3.622 -2.115 -2.450) 4.857 5.595 ( -1.373 -0.207 1.721) 2.212 5.834 ( 0.542 1.197 2.178) 2.544 5.876 ( -2.314 3.296 -2.792) 4.900 5.925 ( -0.263 0.839 1.647) 1.867 6.039 ( -4.882 -0.366 -1.404) 5.093 6.158 ( -6.134 0.675 6.984) 9.320 6.349 ( 0.296 -4.421 1.013) 4.545 6.437 ( -2.601 -0.722 -2.385) 3.603 6.535 ( -7.937 2.221 -4.795) 9.535 6.671 ( -2.703 -4.364 2.797) 5.846 6.744 ( -2.248 -1.871 4.094) 5.031 7.013 ( -5.162 -0.335 0.544) 5.201 7.160 ( -3.210 -0.532 -3.231) 4.585 7.249 ( -4.630 1.869 6.439) 8.148 7.379 ( -2.165 -1.788 -6.311) 6.907 7.451 ( -1.466 -0.170 -1.761) 2.298 7.547 ( -4.306 -1.818 0.521) 4.703 7.606 ( -3.858 0.523 0.810) 3.977 7.726 ( -5.153 -2.737 4.628) 7.447 7.798 ( 4.753 -1.012 -4.289) 6.481 7.989 ( -3.509 3.973 -0.114) 5.302 8.131 ( 1.096 -2.359 0.987) 2.782 8.183 ( 0.081 0.940 3.617) 3.738 8.299 ( -4.776 1.536 -4.064) 6.457 8.409 ( -1.335 3.295 3.278) 4.836 8.446 ( -9.615 -3.799 5.930) 11.918 8.782 ( -2.702 -6.252 -4.416) 8.117 8.853 ( 3.981 -2.227 -10.883) 11.801 8.965 ( 4.022 -1.876 -1.207) 4.599 9.129 ( 0.446 2.928 2.792) 4.070 9.154 ( -2.281 -2.730 2.701) 4.466 9.378 ( 0.381 5.517 -1.659) 5.773 9.521 ( -0.588 2.232 -1.716) 2.876 9.854 ( -8.452 -0.307 -0.534) 8.475 9.907 ( -1.074 -1.663 10.870) 11.049 10.093 ( -4.337 -2.220 -1.043) 4.982 10.303 ( -2.632 -2.315 -3.713) 5.106 10.484 ( -3.830 -2.028 -0.588) 4.373 10.600 ( -6.305 -0.932 7.571) 9.896 10.627 ( 0.752 2.402 -2.393) 3.473 10.924 ( -0.634 -4.306 -3.955) 5.881 11.045 ( 1.826 1.311 0.524) 2.308 11.140 ( -2.639 3.085 -0.753) 4.129 11.330 ( 2.386 -0.538 1.482) 2.860 11.355 ( -4.222 -0.829 -1.604) 4.592 11.428 ( -0.158 4.500 -3.207) 5.528 11.667 ( 3.052 0.035 2.548) 3.976 11.713 ( -1.818 1.774 -1.515) 2.958 11.985 ( -5.029 -3.608 0.682) 6.227 12.220 ( 1.750 1.100 4.551) 4.998 12.315 ( -4.668 -0.860 3.566) 5.937 12.349 ( -5.092 -0.006 0.089) 5.093 12.547 ( -0.018 -0.100 -4.930) 4.931 12.733 ( 5.749 1.855 -2.503) 6.539 12.859 ( 3.706 -1.160 5.847) 7.019 13.132 ( 4.612 -2.596 0.064) 5.293 13.222 ( -3.791 0.092 -6.039) 7.131 13.371 ( -1.830 -2.795 0.882) 3.456 13.544 ( -0.807 -2.436 0.468) 2.608 13.565 ( -1.861 1.854 -2.638) 3.723 13.695 ( 0.174 3.335 -0.712) 3.414 13.797 ( -5.589 2.833 2.272) 6.665 13.875 ( 0.962 0.976 1.374) 1.940 15.194 ( 1.648 3.564 -0.168) 3.930 15.319 ( 1.154 6.956 -1.013) 7.123 15.682 ( -4.264 -3.595 0.326) 5.587 15.748 ( -2.737 -0.395 -0.380) 2.792 16.328 ( 9.126 -1.692 1.269) 9.368 16.622 ( 5.342 -2.857 -0.588) 6.087 17.388 ( -5.487 0.075 2.040) 5.854 17.564 ( -4.012 -2.371 -0.808) 4.729 18.613 ( 25.501 1.204 9.086) 27.098 19.015 ( 16.862 -4.785 -13.743) 22.273 20.007 ( -14.736 0.199 1.483) 14.812 20.078 ( -17.612 2.075 -0.287) 17.736 21.403 ( 1.252 3.091 4.253) 5.405 21.642 ( 3.145 3.279 -8.683) 9.799 22.154 ( -11.073 -11.311 3.119) 16.133 22.298 ( -10.709 -6.606 0.484) 12.592 22.648 ( -6.269 7.439 -0.798) 9.761 22.784 ( -2.146 1.627 3.347) 4.296 23.184 ( -6.544 -4.726 2.205) 8.368 23.265 ( -5.543 -4.063 -1.720) 7.084 24.172 ( 1.712 -2.764 -5.462) 6.357 24.355 ( 0.364 -1.915 7.030) 7.295 24.775 ( -11.281 2.131 2.558) 11.762 24.945 ( -10.154 -2.338 -3.310) 10.933 25.663 ( 4.069 1.929 2.181) 5.003 25.854 ( -1.688 1.912 -2.768) 3.764 25.967 ( -3.135 -1.136 -2.179) 3.983 26.112 ( -6.008 0.535 1.766) 6.285 26.820 ( 2.173 1.094 -0.377) 2.462 26.913 ( 0.909 1.409 0.800) 1.858 27.097 ( -1.610 -0.722 1.470) 2.297 27.180 ( -3.385 3.097 -1.694) 4.891 27.772 ( 4.151 -8.675 -0.944) 9.663 27.997 ( -0.569 -6.621 0.235) 6.650 28.180 ( 0.236 4.897 0.097) 4.903 28.245 ( -0.613 3.831 0.079) 3.881 ======================= Grid point 15 (11/64) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 10.866 -3.123 1.581) 11.416 2.153 ( 12.263 0.483 2.079) 12.447 2.251 ( 10.269 -4.154 2.405) 11.336 2.287 ( 0.828 -8.831 0.366) 8.877 2.350 ( 7.688 -2.959 -0.667) 8.265 2.420 ( -1.351 -9.001 1.289) 9.192 2.518 ( 12.463 1.193 -0.277) 12.523 2.646 ( 12.113 -1.459 -0.526) 12.212 2.834 ( 10.371 -0.944 4.355) 11.288 2.864 ( -1.173 -1.764 -1.218) 2.444 2.965 ( -1.360 -2.078 6.142) 6.625 3.047 ( 0.786 -2.366 5.549) 6.084 3.086 ( 2.987 6.088 -1.137) 6.876 3.103 ( 4.689 3.775 0.453) 6.037 3.198 ( -1.319 5.001 -2.763) 5.863 3.234 ( 1.703 -0.485 -6.481) 6.719 3.362 ( -3.003 2.397 -1.001) 3.971 3.441 ( 6.693 -2.178 1.647) 7.228 3.579 ( -3.304 -1.998 -4.693) 6.077 3.625 ( -2.348 0.453 -6.911) 7.313 3.722 ( 0.593 2.390 -2.771) 3.707 3.852 ( -0.441 3.122 -0.667) 3.223 3.873 ( -1.586 -1.062 -2.887) 3.460 3.953 ( 0.404 -3.802 1.195) 4.006 4.048 ( 4.250 3.941 2.487) 6.307 4.113 ( 3.913 0.377 -4.820) 6.220 4.168 ( 0.411 0.339 6.413) 6.435 4.276 ( 2.558 1.218 2.231) 3.606 4.391 ( 8.182 1.968 -2.106) 8.675 4.428 ( 8.293 -3.218 3.089) 9.416 4.510 ( -0.496 3.650 -0.217) 3.690 4.549 ( 3.845 0.530 -2.544) 4.641 4.590 ( 1.920 -3.906 0.561) 4.389 4.639 ( 2.276 0.747 0.108) 2.397 4.814 ( 0.535 2.963 0.286) 3.024 4.840 ( -2.282 -1.019 -3.189) 4.052 4.921 ( 1.585 8.971 3.585) 9.790 4.994 ( 1.366 -0.107 -1.896) 2.340 5.055 ( -0.053 0.722 -3.772) 3.840 5.132 ( -8.094 -1.466 8.304) 11.688 5.202 ( 2.147 2.119 -4.114) 5.101 5.297 ( 0.041 3.252 -1.521) 3.591 5.396 ( -1.301 -0.590 1.469) 2.049 5.444 ( -3.921 1.130 -1.276) 4.275 5.543 ( 1.110 0.555 2.193) 2.520 5.620 ( 4.924 2.860 -2.311) 6.145 5.760 ( -8.264 1.517 -4.553) 9.557 5.838 ( -3.995 -0.701 2.150) 4.590 5.906 ( 1.021 -4.181 1.547) 4.573 5.997 ( -1.538 -0.035 1.648) 2.255 6.089 ( -2.514 1.176 5.041) 5.754 6.205 ( -8.519 2.654 -6.809) 11.224 6.390 ( -0.439 0.415 0.820) 1.019 6.431 ( -0.921 -0.370 -2.544) 2.730 6.662 ( -0.570 -5.152 12.915) 13.916 6.773 ( 1.938 -6.929 1.365) 7.323 6.951 ( -0.992 -0.086 0.351) 1.056 7.102 ( -2.072 0.207 -4.608) 5.057 7.194 ( -1.852 1.759 4.590) 5.253 7.245 ( -7.337 -0.508 -5.481) 9.172 7.385 ( -5.092 2.078 -3.128) 6.327 7.466 ( -2.144 -1.012 -3.139) 3.933 7.566 ( 0.157 3.710 -0.246) 3.722 7.684 ( -0.405 -5.171 2.433) 5.729 7.865 ( 2.691 -1.098 -3.707) 4.711 7.940 ( 0.090 2.702 2.693) 3.816 8.111 ( -3.150 -0.955 1.386) 3.572 8.167 ( -3.141 1.603 2.954) 4.600 8.221 ( -3.396 2.045 -1.310) 4.175 8.322 ( -2.388 -2.720 1.844) 4.062 8.463 ( 3.231 0.446 9.036) 9.607 8.694 ( -3.652 -4.396 -7.656) 9.554 8.871 ( 2.072 -0.944 -8.429) 8.731 9.058 ( 3.195 -1.363 0.010) 3.474 9.103 ( -3.351 -3.036 1.924) 4.914 9.185 ( 3.887 1.400 1.883) 4.540 9.370 ( 0.080 3.489 -4.733) 5.881 9.504 ( -1.944 -3.590 2.211) 4.643 9.678 ( -6.163 3.667 -1.688) 7.368 9.928 ( 0.087 -1.193 10.781) 10.847 10.060 ( -0.311 -2.260 -0.953) 2.473 10.232 ( -2.462 -1.306 -6.059) 6.669 10.412 ( -3.003 0.382 2.625) 4.007 10.493 ( -4.423 -0.855 3.918) 5.970 10.674 ( 2.709 0.803 -0.555) 2.879 10.892 ( -0.545 -4.932 -5.600) 7.482 11.062 ( 0.527 2.485 -4.798) 5.429 11.105 ( -1.163 4.709 5.988) 7.706 11.210 ( -7.764 -1.059 1.525) 7.983 11.332 ( -0.791 0.480 -2.036) 2.237 11.487 ( 2.584 2.700 -1.115) 3.900 11.670 ( 2.347 0.063 -2.426) 3.375 11.800 ( 1.663 -1.524 4.415) 4.958 11.901 ( 1.312 -3.175 -3.416) 4.845 12.196 ( -6.414 -0.468 2.253) 6.814 12.212 ( -6.702 -0.221 0.782) 6.751 12.366 ( 7.241 2.560 8.448) 11.417 12.515 ( -0.828 2.061 -2.530) 3.367 12.806 ( -1.285 -3.036 -5.074) 6.050 12.927 ( -1.551 -2.601 3.543) 4.661 13.011 ( -0.427 5.790 -6.864) 8.991 13.290 ( 3.819 -2.167 -1.076) 4.521 13.394 ( 2.215 -3.129 0.511) 3.867 13.501 ( -4.261 -3.581 3.056) 6.350 13.592 ( 4.259 3.201 -0.095) 5.329 13.687 ( -1.035 3.097 -0.075) 3.267 13.720 ( -1.923 4.063 0.611) 4.537 13.878 ( -0.887 -0.250 0.029) 0.922 15.222 ( 0.870 2.744 0.233) 2.888 15.316 ( -0.472 6.664 -1.579) 6.865 15.614 ( -2.506 -2.688 1.738) 4.066 15.693 ( -2.155 -0.274 -1.475) 2.626 16.503 ( 6.834 -0.463 0.706) 6.886 16.728 ( 4.839 -2.725 -0.180) 5.556 17.320 ( -2.272 -1.320 3.042) 4.020 17.441 ( -6.342 -2.882 -2.302) 7.336 18.975 ( 8.369 2.335 3.640) 9.420 19.260 ( 11.050 -3.211 -4.487) 12.351 19.777 ( -9.481 1.242 -1.504) 9.679 19.826 ( -6.192 1.846 1.682) 6.677 21.461 ( 3.922 2.949 3.482) 6.017 21.682 ( 3.388 2.928 -7.558) 8.785 21.911 ( -12.616 -1.791 0.107) 12.743 22.040 ( -11.785 2.661 1.946) 12.237 22.655 ( 4.814 -0.446 0.661) 4.879 22.821 ( 3.804 -3.717 1.806) 5.616 23.037 ( -8.340 -4.533 1.737) 9.650 23.131 ( -6.828 -4.379 -1.524) 8.253 24.185 ( 1.459 0.866 -3.422) 3.820 24.361 ( -2.031 1.710 3.638) 4.504 24.610 ( -4.279 -2.230 0.983) 4.924 24.762 ( -7.067 -1.115 -1.339) 7.279 25.745 ( 2.820 1.307 2.116) 3.760 25.821 ( -0.574 -0.045 -1.978) 2.060 25.898 ( -2.616 -0.151 -1.796) 3.177 26.017 ( -3.663 -0.070 1.251) 3.872 26.860 ( 1.598 -0.142 0.479) 1.674 26.930 ( 0.472 -0.942 0.041) 1.054 27.069 ( -1.071 -0.003 0.172) 1.084 27.109 ( -2.848 2.501 -0.608) 3.838 27.835 ( 2.330 -7.274 -0.402) 7.649 27.983 ( -0.788 -7.185 0.147) 7.229 28.176 ( -0.415 5.721 -0.072) 5.736 28.227 ( -0.918 4.355 0.130) 4.453 ======================= Grid point 16 (12/64) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 0.000 -6.853 -0.000) 6.853 2.243 ( 0.000 2.656 -0.000) 2.656 2.272 ( -0.000 -7.655 0.000) 7.655 2.336 ( 0.000 -4.060 0.000) 4.060 2.409 ( 0.000 -15.021 0.000) 15.021 2.563 ( 0.000 2.103 0.000) 2.103 2.698 ( -0.000 -0.573 -0.000) 0.573 2.796 ( 0.000 -2.088 0.000) 2.088 2.831 ( 0.000 -2.280 0.000) 2.280 2.884 ( 0.000 1.052 0.000) 1.052 2.935 ( 0.000 0.718 0.000) 0.718 3.061 ( 0.000 -2.776 0.000) 2.776 3.072 ( 0.000 -3.558 -0.000) 3.558 3.182 ( 0.000 5.410 0.000) 5.410 3.196 ( 0.000 5.482 -0.000) 5.482 3.274 ( 0.000 0.338 -0.000) 0.338 3.358 ( 0.000 9.469 -0.000) 9.469 3.399 ( 0.000 -6.549 0.000) 6.549 3.502 ( 0.000 -1.268 -0.000) 1.268 3.699 ( 0.000 2.140 0.000) 2.140 3.713 ( 0.000 1.152 -0.000) 1.152 3.800 ( -0.000 9.339 0.000) 9.339 3.856 ( 0.000 -0.002 0.000) 0.002 3.951 ( 0.000 -5.193 -0.000) 5.193 4.111 ( 0.000 0.420 -0.000) 0.420 4.165 ( 0.000 5.983 0.000) 5.983 4.235 ( 0.000 -0.178 0.000) 0.178 4.265 ( 0.000 7.334 0.000) 7.334 4.441 ( 0.000 1.093 0.000) 1.093 4.533 ( 0.000 -4.876 0.000) 4.876 4.559 ( 0.000 -7.491 0.000) 7.491 4.602 ( 0.000 1.283 -0.000) 1.283 4.631 ( 0.000 -0.040 -0.000) 0.040 4.635 ( 0.000 -1.260 0.000) 1.260 4.786 ( 0.000 -4.915 -0.000) 4.915 4.870 ( -0.000 0.914 -0.000) 0.914 4.881 ( 0.000 5.572 0.000) 5.572 4.997 ( 0.000 3.795 0.000) 3.795 5.020 ( 0.000 -0.178 -0.000) 0.178 5.071 ( 0.000 0.408 -0.000) 0.408 5.228 ( 0.000 3.354 -0.000) 3.354 5.323 ( -0.000 3.443 0.000) 3.443 5.357 ( 0.000 -0.502 -0.000) 0.502 5.406 ( 0.000 5.737 0.000) 5.737 5.529 ( 0.000 2.126 -0.000) 2.126 5.619 ( 0.000 3.598 0.000) 3.598 5.746 ( 0.000 1.175 0.000) 1.175 5.763 ( -0.000 -6.162 0.000) 6.162 5.912 ( 0.000 -0.112 0.000) 0.112 5.964 ( 0.000 -1.128 -0.000) 1.128 6.094 ( -0.000 0.568 -0.000) 0.568 6.097 ( 0.000 2.283 0.000) 2.283 6.391 ( 0.000 0.826 -0.000) 0.826 6.426 ( 0.000 0.798 0.000) 0.798 6.749 ( 0.000 -11.093 0.000) 11.093 6.766 ( 0.000 -5.975 -0.000) 5.975 6.959 ( 0.000 -0.636 0.000) 0.636 7.013 ( -0.000 0.955 -0.000) 0.955 7.148 ( 0.000 3.755 -0.000) 3.755 7.237 ( -0.000 1.835 -0.000) 1.835 7.271 ( 0.000 3.589 0.000) 3.589 7.447 ( 0.000 -1.981 0.000) 1.981 7.571 ( 0.000 3.042 -0.000) 3.042 7.693 ( 0.000 -4.226 0.000) 4.226 7.882 ( -0.000 0.149 0.000) 0.149 7.981 ( 0.000 0.424 0.000) 0.424 8.053 ( -0.000 -2.337 -0.000) 2.337 8.133 ( 0.000 0.076 -0.000) 0.076 8.173 ( 0.000 4.592 0.000) 4.592 8.311 ( 0.000 -1.171 -0.000) 1.171 8.562 ( -0.000 -1.038 -0.000) 1.038 8.594 ( 0.000 -2.836 0.000) 2.836 8.893 ( 0.000 -1.517 -0.000) 1.517 9.020 ( 0.000 0.241 0.000) 0.241 9.116 ( 0.000 -2.631 0.000) 2.631 9.253 ( 0.000 1.484 0.000) 1.484 9.345 ( 0.000 -2.180 -0.000) 2.180 9.483 ( 0.000 -3.286 -0.000) 3.286 9.611 ( 0.000 4.740 0.000) 4.740 9.993 ( -0.000 0.169 -0.000) 0.169 10.023 ( 0.000 -4.909 0.000) 4.909 10.185 ( 0.000 2.311 0.000) 2.311 10.393 ( 0.000 -0.546 0.000) 0.546 10.456 ( 0.000 -1.233 -0.000) 1.233 10.705 ( 0.000 0.821 0.000) 0.821 10.875 ( 0.000 -5.647 0.000) 5.647 11.073 ( 0.000 4.204 -0.000) 4.204 11.081 ( -0.000 2.618 0.000) 2.618 11.131 ( 0.000 1.518 0.000) 1.518 11.316 ( 0.000 0.647 0.000) 0.647 11.505 ( 0.000 2.749 -0.000) 2.749 11.712 ( 0.000 -0.725 0.000) 0.725 11.776 ( 0.000 -2.140 0.000) 2.140 12.013 ( -0.000 -4.987 0.000) 4.987 12.076 ( 0.000 0.804 -0.000) 0.804 12.129 ( 0.000 0.453 -0.000) 0.453 12.502 ( 0.000 2.086 -0.000) 2.086 12.541 ( 0.000 3.401 0.000) 3.401 12.659 ( -0.000 -3.143 -0.000) 3.143 12.906 ( 0.000 -3.452 0.000) 3.452 13.062 ( 0.000 6.808 0.000) 6.808 13.316 ( 0.000 -2.395 -0.000) 2.395 13.416 ( 0.000 -2.747 0.000) 2.747 13.457 ( 0.000 -1.904 -0.000) 1.904 13.672 ( 0.000 2.020 0.000) 2.020 13.678 ( -0.000 3.973 0.000) 3.973 13.681 ( 0.000 2.424 -0.000) 2.424 13.862 ( 0.000 -0.635 0.000) 0.635 15.229 ( 0.000 3.029 -0.000) 3.029 15.308 ( 0.000 6.173 0.000) 6.173 15.593 ( 0.000 -2.113 0.000) 2.113 15.666 ( 0.000 -0.444 -0.000) 0.444 16.579 ( 0.000 0.395 -0.000) 0.395 16.786 ( 0.000 -2.762 -0.000) 2.762 17.305 ( 0.000 -2.421 0.000) 2.421 17.357 ( 0.000 -2.923 0.000) 2.923 19.049 ( 0.000 2.381 0.000) 2.381 19.394 ( 0.000 -3.891 -0.000) 3.891 19.645 ( 0.000 2.410 0.000) 2.410 19.785 ( 0.000 1.261 0.000) 1.261 21.579 ( -0.000 2.910 -0.000) 2.910 21.648 ( 0.000 -0.204 0.000) 0.204 21.767 ( 0.000 5.763 0.000) 5.763 21.910 ( 0.000 3.716 0.000) 3.716 22.751 ( 0.000 -3.763 0.000) 3.763 22.897 ( 0.000 -7.247 0.000) 7.247 22.913 ( -0.000 -3.151 0.000) 3.151 23.025 ( 0.000 -2.143 0.000) 2.143 24.200 ( 0.000 3.791 0.000) 3.791 24.330 ( 0.000 1.713 0.000) 1.713 24.593 ( 0.000 -1.561 0.000) 1.561 24.671 ( 0.000 -3.263 0.000) 3.263 25.778 ( 0.000 0.962 -0.000) 0.962 25.817 ( 0.000 -0.470 -0.000) 0.470 25.863 ( 0.000 -0.145 0.000) 0.145 25.980 ( 0.000 -0.402 -0.000) 0.402 26.879 ( 0.000 -0.852 -0.000) 0.852 26.933 ( 0.000 -2.278 0.000) 2.278 27.066 ( 0.000 1.505 0.000) 1.505 27.069 ( 0.000 2.087 -0.000) 2.087 27.859 ( 0.000 -6.553 0.000) 6.553 27.974 ( 0.000 -7.298 0.000) 7.298 28.170 ( 0.000 5.782 0.000) 5.782 28.217 ( 0.000 4.544 0.000) 4.544 ======================= Grid point 22 (13/64) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 0.000 20.533 0.000) 20.533 1.173 ( 0.000 26.147 0.000) 26.147 1.315 ( 0.000 30.429 0.000) 30.429 1.547 ( 0.000 2.446 0.000) 2.446 1.773 ( 0.000 -6.179 0.000) 6.179 1.961 ( 0.000 -11.369 0.000) 11.369 2.152 ( 0.000 -1.774 0.000) 1.774 2.202 ( 0.000 -8.602 0.000) 8.602 2.379 ( 0.000 0.316 0.000) 0.316 2.542 ( 0.000 -5.715 0.000) 5.715 2.640 ( 0.000 -5.393 0.000) 5.393 2.736 ( 0.000 -6.675 0.000) 6.675 2.804 ( 0.000 -1.355 0.000) 1.355 2.805 ( 0.000 -3.961 0.000) 3.961 2.918 ( 0.000 0.427 0.000) 0.427 3.028 ( 0.000 -4.581 0.000) 4.581 3.206 ( 0.000 1.164 0.000) 1.164 3.275 ( 0.000 5.032 0.000) 5.032 3.342 ( 0.000 -2.090 0.000) 2.090 3.464 ( 0.000 2.247 0.000) 2.247 3.530 ( 0.000 1.245 0.000) 1.245 3.561 ( 0.000 -1.797 0.000) 1.797 3.698 ( 0.000 -6.403 0.000) 6.403 3.710 ( 0.000 0.416 0.000) 0.416 3.909 ( 0.000 1.413 0.000) 1.413 3.939 ( 0.000 1.294 0.000) 1.294 4.082 ( 0.000 -0.492 0.000) 0.492 4.111 ( 0.000 1.001 0.000) 1.001 4.143 ( 0.000 0.154 0.000) 0.154 4.300 ( 0.000 -3.284 0.000) 3.284 4.392 ( 0.000 -0.021 0.000) 0.021 4.483 ( 0.000 -4.323 0.000) 4.323 4.532 ( 0.000 -0.528 0.000) 0.528 4.660 ( 0.000 -2.498 0.000) 2.498 4.678 ( 0.000 8.295 0.000) 8.295 4.826 ( 0.000 2.514 0.000) 2.514 5.030 ( 0.000 6.460 0.000) 6.460 5.088 ( 0.000 8.530 0.000) 8.530 5.094 ( 0.000 3.445 0.000) 3.445 5.144 ( 0.000 3.005 0.000) 3.005 5.158 ( 0.000 2.005 0.000) 2.005 5.285 ( 0.000 -0.969 0.000) 0.969 5.408 ( 0.000 -3.974 0.000) 3.974 5.455 ( 0.000 -5.607 0.000) 5.607 5.549 ( 0.000 -4.247 0.000) 4.247 5.576 ( 0.000 -6.181 0.000) 6.181 5.752 ( 0.000 2.187 0.000) 2.187 5.795 ( 0.000 -2.062 0.000) 2.062 6.159 ( 0.000 5.181 0.000) 5.181 6.235 ( 0.000 5.848 0.000) 5.848 6.340 ( 0.000 -1.120 0.000) 1.120 6.463 ( 0.000 -7.528 0.000) 7.528 6.570 ( 0.000 7.749 0.000) 7.749 6.583 ( 0.000 0.134 0.000) 0.134 6.658 ( 0.000 5.490 0.000) 5.490 6.804 ( 0.000 6.660 0.000) 6.660 6.863 ( 0.000 -1.840 0.000) 1.840 7.060 ( 0.000 -5.411 0.000) 5.411 7.278 ( 0.000 1.272 0.000) 1.272 7.383 ( 0.000 -1.652 0.000) 1.652 7.483 ( 0.000 0.262 0.000) 0.262 7.531 ( 0.000 -2.019 0.000) 2.019 7.756 ( 0.000 0.875 0.000) 0.875 7.771 ( 0.000 0.748 0.000) 0.748 7.907 ( 0.000 1.338 0.000) 1.338 7.979 ( 0.000 -4.151 0.000) 4.151 8.200 ( 0.000 -2.202 0.000) 2.202 8.240 ( 0.000 -3.872 0.000) 3.872 8.411 ( 0.000 -0.522 0.000) 0.522 8.623 ( 0.000 -4.759 0.000) 4.759 8.769 ( 0.000 1.184 0.000) 1.184 8.786 ( 0.000 -2.784 0.000) 2.784 8.836 ( 0.000 1.211 0.000) 1.211 8.978 ( 0.000 -2.087 0.000) 2.087 9.117 ( 0.000 3.174 0.000) 3.174 9.252 ( 0.000 -3.028 0.000) 3.028 9.478 ( 0.000 2.834 0.000) 2.834 9.535 ( 0.000 -0.312 0.000) 0.312 9.959 ( 0.000 -2.552 0.000) 2.552 9.982 ( 0.000 -2.542 0.000) 2.542 10.176 ( 0.000 1.089 0.000) 1.089 10.198 ( 0.000 0.637 0.000) 0.637 10.612 ( 0.000 0.341 0.000) 0.341 10.744 ( 0.000 1.469 0.000) 1.469 10.758 ( 0.000 -5.765 0.000) 5.765 10.839 ( 0.000 -2.358 0.000) 2.358 11.020 ( 0.000 0.175 0.000) 0.175 11.171 ( 0.000 -5.360 0.000) 5.360 11.476 ( 0.000 8.670 0.000) 8.670 11.595 ( 0.000 0.583 0.000) 0.583 11.763 ( 0.000 1.050 0.000) 1.050 11.840 ( 0.000 -2.099 0.000) 2.099 12.006 ( 0.000 4.420 0.000) 4.420 12.108 ( 0.000 3.027 0.000) 3.027 12.146 ( 0.000 0.763 0.000) 0.763 12.293 ( 0.000 -8.164 0.000) 8.164 12.462 ( 0.000 0.049 0.000) 0.049 12.517 ( 0.000 -2.339 0.000) 2.339 12.647 ( 0.000 4.508 0.000) 4.508 12.739 ( 0.000 -2.125 0.000) 2.125 12.802 ( 0.000 2.002 0.000) 2.002 13.051 ( 0.000 -8.322 0.000) 8.322 13.337 ( 0.000 -1.267 0.000) 1.267 13.362 ( 0.000 -1.699 0.000) 1.699 13.931 ( 0.000 1.758 0.000) 1.758 14.028 ( 0.000 -1.871 0.000) 1.871 14.042 ( 0.000 0.927 0.000) 0.927 14.055 ( 0.000 -0.647 0.000) 0.647 15.323 ( 0.000 9.073 0.000) 9.073 15.419 ( 0.000 11.618 0.000) 11.618 15.625 ( 0.000 -4.937 0.000) 4.937 15.828 ( 0.000 -8.545 0.000) 8.545 15.964 ( 0.000 0.271 0.000) 0.271 16.006 ( 0.000 -2.046 0.000) 2.046 16.519 ( 0.000 2.825 0.000) 2.825 16.589 ( 0.000 0.033 0.000) 0.033 17.596 ( 0.000 1.761 0.000) 1.761 17.685 ( 0.000 -2.474 0.000) 2.474 20.424 ( 0.000 15.496 0.000) 15.496 21.140 ( 0.000 -17.949 0.000) 17.949 21.655 ( 0.000 1.897 0.000) 1.897 21.751 ( 0.000 -2.435 0.000) 2.435 21.862 ( 0.000 5.159 0.000) 5.159 22.212 ( 0.000 -13.277 0.000) 13.277 23.220 ( 0.000 8.217 0.000) 8.217 23.466 ( 0.000 2.224 0.000) 2.224 23.572 ( 0.000 -6.986 0.000) 6.986 23.657 ( 0.000 -7.509 0.000) 7.509 23.872 ( 0.000 9.612 0.000) 9.612 24.152 ( 0.000 -6.327 0.000) 6.327 25.069 ( 0.000 2.607 0.000) 2.607 25.157 ( 0.000 -2.936 0.000) 2.936 25.490 ( 0.000 6.950 0.000) 6.950 25.846 ( 0.000 -10.452 0.000) 10.452 26.160 ( 0.000 1.292 0.000) 1.292 26.319 ( 0.000 -4.604 0.000) 4.604 26.880 ( 0.000 6.072 0.000) 6.072 27.057 ( 0.000 -1.759 0.000) 1.759 27.193 ( 0.000 0.878 0.000) 0.878 27.229 ( 0.000 -0.674 0.000) 0.674 27.712 ( 0.000 8.716 0.000) 8.716 27.907 ( 0.000 -1.590 0.000) 1.590 28.100 ( 0.000 -1.431 0.000) 1.431 28.114 ( 0.000 -1.545 0.000) 1.545 ======================= Grid point 23 (14/64) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -1.845 26.355 -16.126) 30.952 1.060 ( 14.565 16.514 0.389) 22.023 1.549 ( -5.891 -5.189 -9.675) 12.459 1.671 ( 10.597 11.491 2.290) 15.798 1.794 ( 3.505 -6.468 5.933) 9.451 1.996 ( 18.253 2.263 9.626) 20.759 2.171 ( 12.161 0.653 -15.421) 19.650 2.355 ( 1.613 -2.598 2.502) 3.951 2.480 ( -0.068 -1.700 8.199) 8.374 2.565 ( 7.444 -10.232 1.820) 12.783 2.734 ( 5.471 2.920 -3.704) 7.223 2.801 ( 5.843 -2.040 -2.369) 6.627 2.847 ( 5.786 -3.003 2.801) 7.095 2.857 ( 4.496 -1.569 1.801) 5.091 2.936 ( 0.581 -2.185 0.442) 2.303 3.001 ( -0.865 -6.782 3.137) 7.522 3.186 ( -4.523 1.057 -1.163) 4.789 3.239 ( 1.669 3.169 -5.577) 6.628 3.315 ( 0.610 -2.334 5.366) 5.883 3.435 ( 0.319 -0.214 -0.895) 0.974 3.579 ( 1.173 -4.205 0.922) 4.462 3.635 ( 5.211 -9.035 -1.595) 10.552 3.712 ( 2.357 4.203 3.996) 6.260 3.798 ( 6.645 1.938 4.856) 8.456 3.905 ( 3.121 -0.965 -0.175) 3.272 3.936 ( -5.751 0.687 0.692) 5.833 4.051 ( -1.182 -1.211 -2.499) 3.018 4.070 ( -3.655 -0.796 -4.116) 5.562 4.199 ( 7.173 2.243 0.775) 7.556 4.269 ( 2.853 2.611 -3.501) 5.216 4.439 ( 0.028 0.627 -5.348) 5.385 4.511 ( 6.244 -2.125 -4.649) 8.070 4.610 ( 1.870 -0.265 9.378) 9.566 4.672 ( -1.322 8.920 4.709) 10.173 4.676 ( 2.082 -2.956 -0.163) 3.619 4.849 ( 1.541 3.227 -0.425) 3.602 4.995 ( -3.412 8.866 -1.999) 9.708 5.036 ( -4.084 1.841 4.164) 6.116 5.049 ( -1.098 3.269 -0.432) 3.476 5.078 ( -0.717 1.059 1.629) 2.071 5.212 ( 1.667 2.546 -5.673) 6.437 5.279 ( -2.007 -2.924 5.017) 6.144 5.392 ( 0.587 -4.371 2.897) 5.277 5.451 ( 0.813 -1.367 -3.198) 3.572 5.552 ( -1.712 -2.841 -3.097) 4.538 5.621 ( 6.053 -4.283 -6.258) 9.703 5.748 ( 0.883 2.718 0.896) 2.995 5.868 ( 4.222 -3.444 3.107) 6.272 6.127 ( -5.853 4.720 0.844) 7.566 6.242 ( -0.237 4.132 0.994) 4.257 6.369 ( -1.376 -2.279 -0.785) 2.775 6.476 ( -0.499 -0.221 -2.595) 2.651 6.515 ( -4.198 2.738 -1.906) 5.362 6.612 ( 0.308 -3.540 2.147) 4.152 6.678 ( -0.132 5.316 0.780) 5.375 6.907 ( 1.632 -0.930 -2.450) 3.088 7.019 ( 11.812 -3.979 -3.081) 12.839 7.092 ( 7.633 -4.330 -0.572) 8.794 7.292 ( 0.585 2.570 1.680) 3.125 7.380 ( -0.628 -0.863 6.876) 6.958 7.474 ( -0.771 -0.817 -2.803) 3.020 7.535 ( 0.994 -2.565 -2.881) 3.983 7.688 ( -3.671 1.763 0.128) 4.074 7.837 ( -4.140 -3.042 -2.497) 5.713 7.860 ( 4.274 0.311 0.541) 4.320 7.945 ( -3.101 -1.909 1.368) 3.890 8.120 ( -2.692 0.720 3.614) 4.564 8.248 ( -2.317 -5.260 -2.895) 6.435 8.415 ( -0.255 -1.375 1.573) 2.105 8.555 ( -6.499 -5.784 4.221) 9.669 8.734 ( -0.961 4.112 -2.802) 5.068 8.769 ( -0.084 -0.442 -8.521) 8.533 8.874 ( 0.810 -1.794 1.827) 2.686 8.960 ( -5.652 -1.551 0.073) 5.861 9.111 ( 0.731 1.780 5.759) 6.072 9.243 ( -2.070 -3.220 3.292) 5.049 9.438 ( -2.247 2.733 -2.056) 4.092 9.530 ( 1.229 -1.812 -2.804) 3.557 9.895 ( -1.365 3.136 1.879) 3.902 10.071 ( 2.371 -4.103 -2.621) 5.415 10.119 ( -2.035 0.424 0.264) 2.096 10.252 ( 1.996 -2.957 -1.125) 3.741 10.605 ( -1.159 0.621 0.198) 1.330 10.704 ( -3.669 -0.475 4.462) 5.797 10.770 ( -0.413 -0.957 0.203) 1.062 10.864 ( 2.868 -2.389 -2.765) 4.645 11.001 ( -1.990 1.041 1.891) 2.936 11.179 ( 0.546 -5.159 -2.542) 5.778 11.442 ( -3.864 5.714 -1.728) 7.111 11.510 ( -7.624 1.342 -1.928) 7.977 11.692 ( -3.989 4.323 2.422) 6.361 11.713 ( -7.309 5.578 0.053) 9.195 11.874 ( -0.152 -0.024 2.619) 2.623 12.025 ( -4.294 -1.608 0.502) 4.613 12.279 ( -2.659 -2.808 -1.426) 4.121 12.362 ( 1.785 -3.608 2.179) 4.577 12.435 ( -1.415 -1.637 0.838) 2.321 12.451 ( 0.155 -2.237 0.647) 2.334 12.692 ( -0.978 4.279 0.813) 4.464 12.737 ( 1.214 0.122 -0.857) 1.491 12.807 ( 2.443 1.592 1.774) 3.414 13.099 ( 5.252 -10.044 1.887) 11.490 13.424 ( 5.166 1.220 0.730) 5.358 13.454 ( 6.866 -1.017 0.448) 6.956 13.789 ( -9.083 2.070 -3.157) 9.836 13.864 ( -7.635 -0.797 -3.602) 8.480 14.020 ( -4.583 1.118 1.226) 4.875 14.056 ( -4.056 0.390 2.401) 4.730 15.301 ( 0.189 11.077 0.894) 11.114 15.407 ( 1.142 11.694 -0.987) 11.791 15.735 ( 0.331 -8.044 4.286) 9.120 15.784 ( -3.388 -5.233 -4.238) 7.538 16.000 ( 4.437 -0.935 2.255) 5.064 16.218 ( 11.184 -11.148 -2.610) 16.006 17.006 ( 39.770 2.396 1.279) 39.863 17.278 ( 59.587 -14.553 -7.913) 61.847 17.597 ( 0.284 0.387 0.745) 0.886 17.641 ( -3.854 -1.403 -0.863) 4.191 20.433 ( -3.193 9.849 12.863) 16.513 20.951 ( -17.362 -13.531 -3.561) 22.298 21.562 ( -5.544 6.443 -0.624) 8.523 21.769 ( -3.940 7.560 0.861) 8.569 21.846 ( 3.918 -9.878 0.019) 10.626 22.196 ( -1.472 -14.210 -0.948) 14.317 23.162 ( -5.594 5.731 -2.390) 8.358 23.373 ( -7.495 -0.056 1.166) 7.586 23.410 ( -15.753 -0.342 -1.534) 15.831 23.493 ( -7.747 -2.664 0.122) 8.193 24.004 ( 6.395 2.639 1.044) 6.997 24.178 ( 1.265 -5.138 6.116) 8.087 25.084 ( -1.467 1.081 6.858) 7.096 25.163 ( -0.616 -4.726 -1.605) 5.029 25.559 ( 6.643 5.012 -7.603) 11.272 25.870 ( 1.856 -9.600 -2.417) 10.072 26.109 ( -3.937 4.465 2.304) 6.383 26.296 ( -2.807 -3.761 2.272) 5.214 26.856 ( -0.951 5.782 -2.836) 6.510 27.047 ( -2.360 -2.567 0.712) 3.559 27.126 ( -1.744 4.797 1.811) 5.416 27.328 ( 4.213 -5.076 -2.364) 7.007 27.588 ( -6.336 9.913 -0.714) 11.786 27.912 ( -1.979 -6.300 0.240) 6.608 28.128 ( 4.516 1.670 0.436) 4.835 28.196 ( 4.625 -0.894 0.215) 4.715 ======================= Grid point 24 (15/64) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 24.152 13.369 -3.366) 27.810 1.436 ( 21.673 11.452 -1.612) 24.565 1.616 ( 14.771 -2.631 -3.786) 15.474 1.873 ( 5.945 -10.427 -0.247) 12.005 1.928 ( 11.099 1.204 1.408) 11.253 2.096 ( 1.861 -8.055 -11.661) 14.294 2.341 ( 1.017 0.155 0.823) 1.318 2.455 ( -3.021 3.010 6.742) 7.978 2.628 ( 6.563 -2.346 -5.794) 9.064 2.770 ( 15.198 -2.804 3.422) 15.829 2.820 ( 6.682 1.799 -1.054) 6.999 2.900 ( 2.946 -0.285 0.896) 3.093 2.909 ( 1.923 -1.154 2.496) 3.356 2.996 ( 10.347 -0.712 7.163) 12.605 3.000 ( 5.013 -0.559 3.665) 6.235 3.107 ( 6.060 -2.740 8.688) 10.941 3.180 ( 5.719 2.701 -1.586) 6.520 3.325 ( 6.840 5.253 -1.491) 8.752 3.381 ( 1.826 -3.154 0.806) 3.733 3.426 ( 4.528 -7.400 -2.502) 9.029 3.597 ( -1.886 -4.249 2.329) 5.200 3.695 ( -2.321 -1.510 -2.115) 3.484 3.799 ( 6.991 -6.725 -0.651) 9.723 3.862 ( -1.477 -0.034 1.757) 2.295 3.895 ( 5.793 2.715 -0.283) 6.404 3.985 ( 1.812 -3.635 1.306) 4.266 4.049 ( 4.634 -1.189 -6.315) 7.922 4.110 ( 7.429 2.528 -4.111) 8.859 4.275 ( -0.021 2.059 -2.564) 3.288 4.322 ( 1.647 0.995 -4.945) 5.306 4.489 ( 6.399 4.688 -3.931) 8.853 4.602 ( 3.118 4.919 0.705) 5.867 4.617 ( -3.124 7.509 3.783) 8.970 4.673 ( 2.266 0.618 2.516) 3.442 4.733 ( 0.810 2.519 5.232) 5.863 4.893 ( -0.777 -0.451 -3.927) 4.028 4.912 ( 1.678 6.985 1.992) 7.455 5.014 ( 0.679 4.898 3.987) 6.351 5.049 ( 0.133 -4.624 -1.053) 4.744 5.135 ( 2.888 -1.851 7.808) 8.528 5.163 ( -1.368 0.860 -7.704) 7.872 5.314 ( 2.059 -1.266 3.182) 3.996 5.397 ( -2.252 -3.766 2.539) 5.069 5.453 ( 3.068 -4.977 -6.284) 8.583 5.546 ( 1.137 2.418 -3.181) 4.155 5.655 ( -0.694 -0.130 -5.360) 5.407 5.809 ( 3.340 1.365 0.793) 3.694 5.925 ( -0.108 -1.678 1.389) 2.181 6.038 ( -2.851 3.732 2.009) 5.108 6.186 ( -4.860 1.700 -0.438) 5.167 6.285 ( -3.825 3.576 1.169) 5.365 6.363 ( -8.745 2.873 -1.546) 9.333 6.445 ( -3.889 -5.085 4.444) 7.793 6.549 ( -3.615 -1.048 -1.016) 3.898 6.722 ( 0.266 -1.309 3.811) 4.038 6.830 ( -6.789 -2.106 -3.771) 8.046 7.093 ( 0.290 1.069 -0.382) 1.171 7.209 ( -1.878 -5.077 -6.198) 8.229 7.308 ( 0.214 3.131 7.262) 7.911 7.406 ( 1.540 1.655 -6.041) 6.450 7.452 ( -0.910 -1.902 4.652) 5.108 7.526 ( -1.482 -5.564 1.792) 6.031 7.617 ( -4.176 1.040 2.870) 5.172 7.745 ( -1.335 -0.805 0.987) 1.845 7.836 ( -4.258 0.207 -3.764) 5.687 7.993 ( 5.768 -2.139 -5.148) 8.022 8.133 ( -6.481 -0.771 0.293) 6.533 8.186 ( 5.203 1.560 3.226) 6.317 8.388 ( -3.538 -2.245 0.711) 4.250 8.455 ( -5.463 -6.648 9.468) 12.794 8.627 ( -8.022 4.451 -2.607) 9.537 8.731 ( -3.159 -0.664 -2.619) 4.156 8.824 ( -1.012 -0.760 -10.413) 10.490 8.899 ( 1.203 -2.238 -3.383) 4.231 9.134 ( -0.909 0.227 5.221) 5.304 9.195 ( -3.170 -0.841 4.322) 5.425 9.417 ( 0.676 2.709 0.064) 2.793 9.570 ( 2.650 -3.242 -5.383) 6.820 9.907 ( -0.056 5.512 6.441) 8.478 9.987 ( -5.707 1.900 -2.579) 6.545 10.128 ( -1.889 -5.105 -0.006) 5.443 10.244 ( -1.325 -6.609 -1.585) 6.924 10.552 ( -4.150 0.822 1.310) 4.429 10.635 ( -4.095 -1.054 4.314) 6.041 10.739 ( -2.538 2.645 -0.217) 3.672 10.880 ( -0.865 -3.491 -2.657) 4.471 11.011 ( 3.101 2.369 0.478) 3.931 11.173 ( 1.153 -3.277 -6.299) 7.193 11.341 ( -3.554 3.241 1.961) 5.195 11.410 ( -3.583 -1.384 0.184) 3.845 11.601 ( -4.252 6.061 -0.956) 7.465 11.666 ( -1.616 2.840 5.157) 6.105 11.836 ( -3.619 1.789 -1.678) 4.372 11.969 ( -2.352 -3.961 1.472) 4.836 12.222 ( -1.881 0.372 2.357) 3.039 12.362 ( 1.080 -2.684 0.854) 3.017 12.427 ( -4.734 -0.516 2.601) 5.427 12.435 ( 0.089 -2.737 3.642) 4.556 12.710 ( 5.344 1.581 -6.857) 8.836 12.754 ( 1.832 -1.776 -1.049) 2.759 12.948 ( 8.424 3.765 3.474) 9.860 13.212 ( 4.661 -7.276 -3.235) 9.227 13.453 ( -4.440 1.278 -0.983) 4.723 13.496 ( -3.923 -1.404 1.062) 4.300 13.706 ( 1.224 1.561 -1.589) 2.541 13.728 ( -2.047 0.007 -4.173) 4.648 13.902 ( -5.253 2.944 2.407) 6.485 13.960 ( -5.993 0.636 3.453) 6.946 15.307 ( -0.195 9.449 0.814) 9.486 15.443 ( 2.409 9.274 -2.088) 9.807 15.677 ( -4.536 -6.897 -0.172) 8.257 15.743 ( -1.078 -4.383 -0.475) 4.539 16.130 ( 8.044 1.316 1.297) 8.254 16.395 ( 7.147 -8.751 0.059) 11.299 17.523 ( -5.635 0.756 -0.167) 5.688 17.571 ( -1.387 -1.507 0.598) 2.134 17.926 ( 42.140 4.011 4.197) 42.538 18.318 ( 41.129 -15.889 -11.534) 45.575 20.313 ( -12.777 3.433 8.307) 15.622 20.503 ( -22.543 -4.475 -3.204) 23.205 21.486 ( -1.600 7.281 1.202) 7.551 21.723 ( 0.146 6.353 -5.487) 8.396 21.915 ( 1.402 -14.679 4.659) 15.464 22.162 ( -1.490 -13.263 0.581) 13.359 22.984 ( -10.472 4.286 0.727) 11.338 23.090 ( -14.507 5.215 -1.651) 15.504 23.219 ( -7.909 -3.415 2.937) 9.102 23.326 ( -7.730 -3.197 -2.045) 8.611 24.098 ( 3.516 0.790 -2.027) 4.135 24.233 ( 1.835 -4.380 5.243) 7.074 25.023 ( -7.221 0.670 4.558) 8.565 25.064 ( -8.052 -4.247 -1.708) 9.263 25.649 ( 4.271 4.591 -4.007) 7.441 25.882 ( 0.157 -5.835 -2.534) 6.364 26.049 ( -3.129 4.884 1.167) 5.916 26.220 ( -5.448 -2.063 2.862) 6.490 26.845 ( 0.655 4.528 -1.709) 4.884 26.981 ( -3.229 1.137 0.461) 3.454 27.112 ( -0.991 1.708 0.845) 2.148 27.321 ( -3.296 -1.535 -2.406) 4.360 27.560 ( 2.988 1.609 -0.005) 3.394 27.869 ( -1.693 -8.371 0.262) 8.545 28.218 ( 3.485 2.890 0.216) 4.532 28.273 ( 2.548 0.482 0.126) 2.596 ======================= Grid point 25 (16/64) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 29.284 4.281 4.812) 29.984 1.799 ( 14.198 4.476 -2.260) 15.057 2.001 ( 6.757 -7.146 -7.951) 12.646 2.042 ( 15.080 -6.486 -0.725) 16.431 2.082 ( 14.054 -2.175 5.087) 15.104 2.119 ( 3.249 -8.962 -1.240) 9.613 2.408 ( 0.001 -0.069 2.111) 2.112 2.451 ( 3.896 0.685 3.230) 5.107 2.681 ( 4.566 2.794 -2.092) 5.748 2.826 ( -2.391 -5.595 2.039) 6.417 2.943 ( 0.984 0.144 4.596) 4.702 2.980 ( 2.761 -0.067 4.351) 5.153 3.007 ( 10.498 4.289 -4.022) 12.032 3.116 ( 3.810 2.470 -0.650) 4.587 3.204 ( 2.240 -0.361 2.192) 3.154 3.222 ( 5.181 -1.679 3.877) 6.685 3.333 ( 6.291 3.065 -0.534) 7.018 3.391 ( 2.135 -8.062 -3.828) 9.177 3.520 ( 4.452 0.794 -4.563) 6.425 3.614 ( 6.600 -0.116 -0.258) 6.606 3.622 ( 8.129 -0.563 8.516) 11.786 3.669 ( 6.192 -1.842 -5.556) 8.520 3.875 ( 5.203 1.009 -4.059) 6.676 3.893 ( 4.560 -4.977 0.043) 6.750 3.985 ( -0.188 0.095 -1.519) 1.534 4.049 ( 3.920 -0.308 0.108) 3.934 4.157 ( 3.121 -1.567 -2.853) 4.510 4.241 ( -0.022 1.356 -0.185) 1.369 4.254 ( 8.531 -0.526 -2.770) 8.985 4.320 ( 2.306 -0.429 -4.369) 4.959 4.522 ( -5.499 9.195 5.228) 11.921 4.590 ( 2.942 5.540 -2.686) 6.824 4.652 ( 1.940 7.421 1.887) 7.899 4.710 ( -3.294 4.689 0.763) 5.781 4.769 ( 3.654 -1.963 -2.633) 4.913 4.893 ( 0.871 -0.439 5.153) 5.245 4.969 ( -2.833 -5.984 4.184) 7.832 5.005 ( -0.264 -1.065 -2.420) 2.657 5.046 ( 2.108 5.638 -3.106) 6.773 5.191 ( 3.901 3.243 -0.141) 5.075 5.214 ( 3.427 -0.920 2.429) 4.300 5.349 ( 1.771 -0.674 0.596) 1.986 5.394 ( -0.683 1.258 2.942) 3.272 5.496 ( 3.082 -3.960 -5.368) 7.348 5.526 ( -1.699 4.572 -4.382) 6.557 5.606 ( -0.789 1.550 -1.230) 2.130 5.816 ( -2.206 -2.277 -1.051) 3.340 5.883 ( -4.573 -2.844 -5.082) 7.405 6.011 ( -1.960 5.786 5.272) 8.069 6.061 ( -5.392 3.036 0.728) 6.231 6.188 ( -6.585 2.662 3.613) 7.969 6.276 ( -0.295 -1.698 3.959) 4.318 6.405 ( -1.658 -3.366 2.751) 4.652 6.473 ( -3.338 -7.613 1.836) 8.513 6.656 ( -8.312 1.745 -4.599) 9.659 6.704 ( -2.834 -1.390 3.184) 4.483 7.019 ( -4.741 1.188 -3.979) 6.303 7.125 ( -2.505 -2.916 -5.150) 6.427 7.281 ( -3.956 1.584 4.947) 6.529 7.352 ( -4.328 -1.321 -1.916) 4.914 7.452 ( -1.134 0.222 0.945) 1.492 7.497 ( -2.112 -2.432 5.394) 6.283 7.610 ( 0.678 -0.048 0.489) 0.837 7.674 ( -4.926 -2.684 1.054) 5.708 7.813 ( 1.836 2.779 -5.717) 6.616 7.992 ( -2.894 -4.856 1.186) 5.776 8.112 ( 1.500 3.542 0.742) 3.917 8.258 ( -0.544 4.539 4.001) 6.075 8.302 ( -4.004 -2.856 2.517) 5.525 8.364 ( -5.557 -2.428 3.991) 7.259 8.478 ( -3.955 3.368 -1.043) 5.299 8.655 ( -2.427 -6.169 -3.710) 7.597 8.829 ( 3.720 0.291 -9.904) 10.584 8.926 ( 2.947 -2.725 -4.102) 5.739 9.124 ( -1.324 0.431 3.204) 3.493 9.169 ( -0.822 0.498 3.915) 4.031 9.440 ( 0.492 1.595 1.548) 2.276 9.543 ( -3.377 -1.412 -7.246) 8.119 9.849 ( -6.205 1.671 3.132) 7.149 9.925 ( -2.361 2.125 4.024) 5.127 10.049 ( -2.066 -1.340 -0.923) 2.630 10.221 ( -0.820 -5.874 -3.410) 6.841 10.471 ( -3.996 0.974 3.324) 5.288 10.567 ( -5.168 -2.475 6.966) 9.020 10.690 ( -0.710 3.827 -4.276) 5.782 10.845 ( -1.115 -3.950 -4.172) 5.853 11.078 ( 2.615 2.340 -0.717) 3.582 11.172 ( 0.279 -0.214 -4.257) 4.272 11.310 ( -3.726 -0.615 6.970) 7.928 11.342 ( -2.028 -0.751 2.242) 3.115 11.538 ( -0.406 5.972 -2.860) 6.634 11.664 ( 0.881 -0.566 0.016) 1.047 11.754 ( -2.981 2.316 -0.668) 3.833 11.899 ( -4.934 -4.933 0.668) 7.009 12.266 ( 4.266 3.804 4.347) 7.181 12.307 ( -5.554 0.156 1.683) 5.806 12.341 ( -4.723 -0.740 0.529) 4.810 12.496 ( 3.759 -5.236 0.806) 6.496 12.784 ( 2.997 2.936 -4.318) 6.020 12.841 ( 5.218 -0.584 -0.218) 5.255 13.113 ( 5.320 0.706 1.377) 5.540 13.201 ( -3.428 -2.042 -5.513) 6.805 13.343 ( -2.643 -0.206 0.048) 2.651 13.437 ( -0.484 -5.153 0.056) 5.176 13.656 ( -1.772 4.724 -1.587) 5.289 13.755 ( 0.509 1.543 0.028) 1.625 13.840 ( -4.028 1.975 2.925) 5.355 13.888 ( -0.657 0.123 0.786) 1.032 15.304 ( -0.158 7.360 1.147) 7.451 15.472 ( 0.840 8.115 -2.173) 8.443 15.592 ( -3.714 -5.809 0.744) 6.935 15.713 ( -1.651 -3.410 -1.311) 4.009 16.320 ( 9.688 1.593 1.241) 9.896 16.528 ( 6.276 -6.467 0.231) 9.015 17.401 ( -5.996 1.339 1.041) 6.231 17.504 ( -5.100 -3.462 -0.684) 6.201 18.662 ( 27.038 4.032 4.269) 27.669 18.898 ( 20.938 -6.826 -6.769) 23.039 20.032 ( -14.055 2.113 0.623) 14.226 20.099 ( -16.158 -0.135 -0.134) 16.159 21.491 ( 1.029 6.007 2.090) 6.443 21.719 ( 2.107 2.916 -9.986) 10.614 21.933 ( -1.803 -8.925 7.481) 11.784 22.133 ( -2.121 -9.582 0.045) 9.814 22.789 ( -8.869 5.864 0.660) 10.653 22.834 ( -9.060 4.234 1.224) 10.075 23.077 ( -7.399 -5.413 3.346) 9.759 23.167 ( -7.036 -5.783 -2.813) 9.532 24.154 ( 3.339 1.179 -2.734) 4.474 24.291 ( 2.750 -4.177 2.415) 5.554 24.812 ( -12.381 1.520 1.448) 12.558 24.895 ( -8.608 -2.641 -0.215) 9.007 25.718 ( 3.374 3.604 -0.391) 4.952 25.861 ( -1.292 -1.968 -1.405) 2.742 25.976 ( -3.941 2.722 -0.882) 4.870 26.105 ( -6.336 -1.586 1.881) 6.797 26.855 ( 0.343 2.403 -0.049) 2.427 26.936 ( -1.490 0.276 -0.011) 1.515 27.092 ( -0.866 1.361 0.116) 1.617 27.232 ( -4.255 0.333 -1.047) 4.394 27.644 ( 4.470 -2.578 -0.249) 5.167 27.848 ( -0.651 -8.312 0.278) 8.342 28.263 ( 0.991 3.362 0.026) 3.505 28.299 ( 0.180 1.621 0.050) 1.632 ======================= Grid point 26 (17/64) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 8.357 -1.325 3.234) 9.058 2.037 ( 1.054 -7.575 -5.113) 9.200 2.122 ( 5.476 -8.418 -3.433) 10.613 2.180 ( 4.341 -7.212 -0.061) 8.418 2.266 ( 14.829 3.256 4.219) 15.757 2.390 ( 2.533 1.938 4.545) 5.553 2.524 ( 15.363 -2.162 3.915) 16.001 2.585 ( 8.572 -6.186 0.208) 10.573 2.751 ( 1.063 -2.757 3.634) 4.684 2.809 ( 1.029 -2.916 -1.420) 3.402 2.943 ( -2.532 -0.220 6.006) 6.521 3.023 ( 0.932 -1.089 4.589) 4.808 3.172 ( 3.027 2.978 -1.609) 4.541 3.189 ( -4.114 0.949 0.106) 4.223 3.231 ( 3.439 1.839 -1.146) 4.065 3.257 ( 6.306 2.490 -3.291) 7.536 3.409 ( 3.552 -0.868 -4.019) 5.433 3.496 ( 3.813 8.752 -2.837) 9.959 3.584 ( 1.507 -1.411 -5.828) 6.182 3.627 ( 4.947 2.426 -5.079) 7.494 3.767 ( 2.232 3.275 1.564) 4.261 3.825 ( -4.070 -2.672 2.230) 5.355 3.848 ( 3.071 -0.138 0.767) 3.169 3.973 ( 2.083 2.138 -5.963) 6.668 4.073 ( 4.887 -1.270 -2.817) 5.782 4.135 ( 6.923 -3.044 0.973) 7.625 4.173 ( -0.870 3.401 1.488) 3.813 4.234 ( 5.934 -4.295 -0.133) 7.327 4.397 ( 4.945 0.023 4.608) 6.759 4.429 ( 2.271 1.747 0.114) 2.867 4.509 ( 4.324 -1.135 -1.861) 4.843 4.600 ( -2.446 2.588 -1.523) 3.873 4.651 ( 0.826 3.676 -0.413) 3.790 4.678 ( -2.147 5.832 5.019) 7.988 4.739 ( -2.537 -0.580 -4.043) 4.808 4.888 ( -1.467 -2.952 0.462) 3.328 4.936 ( -0.400 -5.171 0.040) 5.187 5.031 ( 1.705 -1.595 0.324) 2.357 5.093 ( 1.241 6.671 0.619) 6.813 5.136 ( -7.579 3.386 1.828) 8.500 5.296 ( 2.483 4.584 -1.581) 5.448 5.355 ( -1.222 3.432 -1.025) 3.785 5.391 ( 1.027 0.449 1.289) 1.708 5.498 ( 0.366 3.721 -0.380) 3.758 5.544 ( -0.410 -1.287 1.699) 2.171 5.644 ( 4.164 -0.431 -4.183) 5.918 5.743 ( -4.526 -5.112 -3.142) 7.516 5.758 ( -2.776 -2.074 -2.460) 4.250 5.947 ( -3.017 5.183 5.379) 8.057 6.020 ( -1.796 2.054 5.088) 5.773 6.124 ( -2.260 2.803 3.449) 4.986 6.245 ( -4.632 2.398 -3.307) 6.175 6.372 ( 1.185 -4.124 -3.846) 5.762 6.442 ( -3.053 1.565 4.796) 5.897 6.525 ( -1.454 -6.975 1.622) 7.307 6.649 ( -3.303 -5.726 2.074) 6.928 6.958 ( -0.092 1.054 -2.020) 2.280 7.057 ( -2.274 -3.551 -6.613) 7.843 7.239 ( -1.652 2.782 3.757) 4.958 7.273 ( -2.286 2.078 0.950) 3.232 7.408 ( -3.222 -0.099 0.613) 3.281 7.443 ( -3.806 -1.527 -1.857) 4.502 7.596 ( 0.073 -1.040 0.866) 1.355 7.639 ( -0.753 1.166 2.119) 2.533 7.836 ( 2.338 -0.794 -5.438) 5.972 7.955 ( -1.491 -2.540 3.775) 4.788 8.088 ( -3.000 0.477 -0.000) 3.038 8.173 ( -5.804 -2.033 1.554) 6.343 8.283 ( -1.493 4.613 7.235) 8.710 8.323 ( 1.028 2.316 -2.722) 3.719 8.470 ( 1.227 0.432 4.780) 4.954 8.596 ( -1.828 -5.346 -6.274) 8.443 8.863 ( 2.426 0.602 -7.220) 7.640 8.986 ( 3.706 -4.852 -4.041) 7.322 9.094 ( -2.901 1.876 3.333) 4.801 9.194 ( 2.040 -1.082 3.926) 4.555 9.412 ( -5.221 -0.321 -6.836) 8.608 9.432 ( -2.544 -3.001 2.462) 4.641 9.743 ( -3.761 3.867 -0.339) 5.405 9.911 ( -0.381 -1.928 5.705) 6.034 10.043 ( 0.494 1.963 -2.025) 2.864 10.193 ( 0.317 -2.889 -4.181) 5.092 10.420 ( -2.724 0.645 3.573) 4.539 10.475 ( -5.281 -1.236 5.279) 7.569 10.694 ( 1.923 1.507 -2.186) 3.278 10.804 ( -1.075 -4.001 -5.038) 6.523 11.095 ( 0.130 1.453 -3.192) 3.509 11.160 ( -0.972 -0.958 -4.774) 4.965 11.230 ( -4.206 4.251 11.940) 13.353 11.334 ( -0.976 -0.567 2.747) 2.970 11.565 ( 2.188 5.271 -1.407) 5.878 11.676 ( 1.251 0.642 -2.778) 3.114 11.761 ( 0.272 -2.331 2.098) 3.148 11.818 ( 0.478 -5.156 -0.267) 5.185 12.189 ( -6.162 -0.073 0.101) 6.164 12.208 ( -5.858 -0.362 -1.378) 6.029 12.429 ( 7.509 3.761 6.043) 10.347 12.543 ( 1.397 0.037 -2.516) 2.878 12.773 ( -3.582 -0.167 -2.842) 4.576 12.860 ( -3.849 -3.692 1.037) 5.433 13.120 ( 3.768 4.980 -4.849) 7.907 13.247 ( 4.246 -2.249 -1.702) 5.097 13.356 ( 1.665 -0.607 1.858) 2.568 13.428 ( -1.814 -3.436 3.361) 5.137 13.662 ( 2.551 3.482 -0.967) 4.423 13.733 ( -1.165 0.851 -1.726) 2.249 13.791 ( -2.127 3.409 2.124) 4.545 13.870 ( -1.606 -0.710 0.106) 1.759 15.312 ( 0.400 6.070 1.086) 6.180 15.458 ( -0.914 7.336 -2.314) 7.746 15.544 ( -1.487 -4.456 1.885) 5.061 15.667 ( -2.026 -2.607 -1.521) 3.635 16.508 ( 7.674 1.334 0.742) 7.824 16.652 ( 5.416 -4.743 0.297) 7.205 17.300 ( -4.168 -0.357 1.678) 4.507 17.374 ( -6.428 -3.668 -1.482) 7.548 19.035 ( 9.042 3.658 1.949) 9.947 19.187 ( 10.659 -3.980 -2.576) 11.666 19.810 ( -8.534 1.954 -0.907) 8.802 19.852 ( -7.020 0.575 1.073) 7.125 21.544 ( 3.746 5.448 1.907) 6.881 21.727 ( 0.589 -0.056 -6.153) 6.182 21.901 ( -2.220 1.907 1.810) 3.441 22.058 ( -4.935 -1.420 0.373) 5.149 22.667 ( -2.239 1.768 -0.028) 2.853 22.739 ( -2.131 -3.666 2.421) 4.882 22.941 ( -6.648 -4.223 2.166) 8.168 23.028 ( -5.388 -5.811 -1.878) 8.144 24.224 ( 4.380 3.106 -1.827) 5.671 24.363 ( 3.238 -2.023 0.945) 3.933 24.593 ( -8.347 1.156 0.684) 8.454 24.718 ( -8.417 -3.307 -0.035) 9.043 25.778 ( 2.333 1.978 1.295) 3.322 25.830 ( -1.231 0.548 -0.434) 1.415 25.897 ( -2.986 0.465 -2.086) 3.672 25.997 ( -4.364 -2.174 1.080) 4.993 26.860 ( 0.194 0.294 0.497) 0.609 26.907 ( -1.333 -1.413 -0.310) 1.967 27.088 ( 0.441 2.222 0.074) 2.267 27.155 ( -2.892 1.382 -0.545) 3.251 27.722 ( 2.993 -3.465 -0.173) 4.582 27.838 ( -0.437 -7.325 0.157) 7.339 28.268 ( -0.263 3.518 -0.080) 3.529 28.292 ( -0.601 2.199 0.098) 2.282 ======================= Grid point 27 (18/64) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 0.000 -6.126 -0.000) 6.126 2.124 ( 0.000 -12.320 0.000) 12.320 2.131 ( -0.000 -4.041 -0.000) 4.041 2.225 ( 0.000 -5.838 0.000) 5.838 2.329 ( 0.000 4.722 0.000) 4.722 2.560 ( -0.000 -3.878 -0.000) 3.878 2.651 ( 0.000 -2.461 0.000) 2.461 2.728 ( 0.000 -4.926 0.000) 4.926 2.793 ( 0.000 -1.448 0.000) 1.448 2.815 ( -0.000 -4.502 -0.000) 4.502 2.965 ( 0.000 3.502 -0.000) 3.502 3.029 ( 0.000 -0.411 0.000) 0.411 3.118 ( 0.000 4.351 0.000) 4.351 3.212 ( 0.000 0.165 0.000) 0.165 3.274 ( 0.000 -1.963 0.000) 1.963 3.277 ( -0.000 -0.311 -0.000) 0.311 3.435 ( 0.000 10.941 -0.000) 10.941 3.483 ( 0.000 2.921 -0.000) 2.921 3.573 ( 0.000 8.434 0.000) 8.434 3.720 ( 0.000 -0.868 0.000) 0.868 3.727 ( -0.000 0.294 -0.000) 0.294 3.794 ( 0.000 -6.560 0.000) 6.560 3.916 ( 0.000 2.283 0.000) 2.283 3.948 ( 0.000 4.553 -0.000) 4.553 4.101 ( 0.000 -0.174 0.000) 0.174 4.214 ( 0.000 -2.202 0.000) 2.202 4.273 ( 0.000 3.060 0.000) 3.060 4.360 ( -0.000 0.735 -0.000) 0.735 4.419 ( -0.000 -3.009 0.000) 3.009 4.429 ( 0.000 -4.746 -0.000) 4.746 4.508 ( 0.000 3.286 -0.000) 3.286 4.581 ( 0.000 -1.658 -0.000) 1.658 4.625 ( 0.000 1.093 0.000) 1.093 4.694 ( 0.000 5.180 0.000) 5.180 4.798 ( -0.000 3.702 0.000) 3.702 4.845 ( 0.000 -1.868 -0.000) 1.868 4.889 ( 0.000 -4.373 -0.000) 4.373 4.993 ( -0.000 -1.965 0.000) 1.965 5.083 ( 0.000 3.805 -0.000) 3.805 5.108 ( 0.000 4.791 0.000) 4.791 5.322 ( 0.000 0.217 -0.000) 0.217 5.351 ( 0.000 3.904 0.000) 3.904 5.389 ( 0.000 2.828 -0.000) 2.828 5.492 ( 0.000 -4.533 -0.000) 4.533 5.579 ( -0.000 0.169 -0.000) 0.169 5.584 ( 0.000 3.352 0.000) 3.352 5.724 ( 0.000 1.750 -0.000) 1.750 5.753 ( 0.000 -0.870 0.000) 0.870 5.942 ( 0.000 1.679 0.000) 1.679 6.006 ( 0.000 4.320 -0.000) 4.320 6.110 ( 0.000 0.277 -0.000) 0.277 6.141 ( 0.000 5.614 0.000) 5.614 6.408 ( 0.000 0.596 -0.000) 0.596 6.431 ( -0.000 -1.425 0.000) 1.425 6.528 ( 0.000 -10.189 0.000) 10.189 6.600 ( 0.000 -10.239 0.000) 10.239 6.966 ( 0.000 1.101 0.000) 1.101 7.011 ( -0.000 -0.761 -0.000) 0.761 7.222 ( 0.000 4.128 -0.000) 4.128 7.287 ( -0.000 2.896 -0.000) 2.896 7.336 ( 0.000 1.848 0.000) 1.848 7.399 ( 0.000 -2.835 0.000) 2.835 7.611 ( 0.000 -2.800 0.000) 2.800 7.634 ( 0.000 2.465 -0.000) 2.465 7.849 ( 0.000 -2.549 -0.000) 2.549 7.958 ( 0.000 -3.796 0.000) 3.796 8.046 ( 0.000 1.532 -0.000) 1.532 8.108 ( 0.000 -1.416 0.000) 1.416 8.280 ( 0.000 5.856 -0.000) 5.856 8.333 ( 0.000 2.733 -0.000) 2.733 8.530 ( -0.000 -2.232 -0.000) 2.232 8.530 ( 0.000 -3.270 0.000) 3.270 8.879 ( 0.000 0.577 -0.000) 0.577 9.011 ( 0.000 -3.631 0.000) 3.631 9.066 ( 0.000 1.343 0.000) 1.343 9.264 ( -0.000 -5.969 -0.000) 5.969 9.299 ( 0.000 2.000 0.000) 2.000 9.408 ( 0.000 -4.032 -0.000) 4.032 9.705 ( 0.000 5.248 0.000) 5.248 9.925 ( 0.000 -5.227 -0.000) 5.227 10.041 ( 0.000 4.617 0.000) 4.617 10.200 ( 0.000 -1.113 0.000) 1.113 10.388 ( 0.000 0.187 0.000) 0.187 10.428 ( 0.000 -1.525 -0.000) 1.525 10.720 ( 0.000 0.588 0.000) 0.588 10.779 ( 0.000 -3.820 -0.000) 3.820 11.096 ( -0.000 0.171 0.000) 0.171 11.109 ( 0.000 0.360 -0.000) 0.360 11.232 ( 0.000 5.958 -0.000) 5.958 11.326 ( 0.000 0.203 0.000) 0.203 11.579 ( 0.000 4.929 0.000) 4.929 11.705 ( 0.000 0.365 0.000) 0.365 11.727 ( -0.000 -2.673 0.000) 2.673 11.891 ( 0.000 -7.266 0.000) 7.266 12.096 ( 0.000 1.227 0.000) 1.227 12.132 ( 0.000 -0.224 -0.000) 0.224 12.546 ( 0.000 2.164 -0.000) 2.164 12.611 ( 0.000 -1.770 0.000) 1.770 12.623 ( -0.000 4.773 -0.000) 4.773 12.820 ( 0.000 -5.086 0.000) 5.086 13.187 ( 0.000 5.405 0.000) 5.405 13.278 ( 0.000 -1.386 -0.000) 1.386 13.372 ( 0.000 -1.368 -0.000) 1.368 13.415 ( 0.000 -2.280 -0.000) 2.280 13.709 ( 0.000 1.589 0.000) 1.589 13.720 ( -0.000 1.341 0.000) 1.341 13.759 ( 0.000 3.836 -0.000) 3.836 13.846 ( 0.000 -1.072 -0.000) 1.072 15.320 ( 0.000 5.888 -0.000) 5.888 15.442 ( 0.000 7.126 0.000) 7.126 15.534 ( 0.000 -4.037 0.000) 4.037 15.640 ( 0.000 -2.455 -0.000) 2.455 16.597 ( 0.000 1.595 -0.000) 1.595 16.717 ( 0.000 -3.996 -0.000) 3.996 17.257 ( 0.000 -1.976 -0.000) 1.976 17.291 ( 0.000 -3.359 0.000) 3.359 19.113 ( 0.000 4.117 0.000) 4.117 19.303 ( 0.000 -5.153 -0.000) 5.153 19.704 ( 0.000 3.471 0.000) 3.471 19.797 ( 0.000 -0.396 0.000) 0.396 21.644 ( -0.000 3.175 -0.000) 3.175 21.663 ( 0.000 1.352 0.000) 1.352 21.894 ( 0.000 6.824 0.000) 6.824 21.988 ( 0.000 3.335 0.000) 3.335 22.663 ( 0.000 -4.548 0.000) 4.548 22.729 ( 0.000 -8.644 -0.000) 8.644 22.862 ( 0.000 -1.164 0.000) 1.164 22.963 ( 0.000 -4.057 0.000) 4.057 24.294 ( 0.000 5.532 -0.000) 5.532 24.374 ( 0.000 2.469 0.000) 2.469 24.550 ( 0.000 -2.611 0.000) 2.611 24.585 ( -0.000 -5.170 -0.000) 5.170 25.813 ( 0.000 2.222 0.000) 2.222 25.815 ( 0.000 0.967 -0.000) 0.967 25.854 ( -0.000 -0.855 -0.000) 0.855 25.952 ( 0.000 -2.707 -0.000) 2.707 26.865 ( 0.000 -0.463 -0.000) 0.463 26.890 ( 0.000 -1.910 0.000) 1.910 27.104 ( 0.000 2.189 0.000) 2.189 27.114 ( -0.000 2.073 -0.000) 2.073 27.754 ( 0.000 -3.637 0.000) 3.637 27.833 ( 0.000 -6.742 0.000) 6.742 28.263 ( 0.000 3.553 0.000) 3.553 28.285 ( 0.000 2.337 0.000) 2.337 ======================= Grid point 33 (19/64) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 0.000 -17.753 0.000) 17.753 1.249 ( 0.000 17.753 0.000) 17.753 1.653 ( 0.000 -14.087 0.000) 14.087 1.653 ( 0.000 14.087 0.000) 14.087 1.842 ( 0.000 -11.618 0.000) 11.618 1.842 ( 0.000 11.618 0.000) 11.618 2.005 ( 0.000 -6.200 0.000) 6.200 2.005 ( 0.000 6.200 0.000) 6.200 2.437 ( 0.000 -4.656 0.000) 4.656 2.437 ( 0.000 4.656 0.000) 4.656 2.620 ( 0.000 -4.028 0.000) 4.028 2.620 ( 0.000 4.028 0.000) 4.028 2.780 ( 0.000 -0.680 0.000) 0.680 2.780 ( 0.000 0.680 0.000) 0.680 2.946 ( 0.000 -2.855 0.000) 2.855 2.946 ( 0.000 2.855 0.000) 2.855 3.266 ( 0.000 -3.254 0.000) 3.254 3.266 ( 0.000 3.254 0.000) 3.254 3.411 ( 0.000 -5.835 0.000) 5.835 3.411 ( 0.000 5.835 0.000) 5.835 3.525 ( 0.000 -0.184 0.000) 0.184 3.525 ( 0.000 0.184 0.000) 0.184 3.690 ( 0.000 -2.383 0.000) 2.383 3.690 ( 0.000 2.383 0.000) 2.383 3.936 ( 0.000 -1.002 0.000) 1.002 3.936 ( 0.000 1.002 0.000) 1.002 4.109 ( 0.000 -1.732 0.000) 1.732 4.109 ( 0.000 1.732 0.000) 1.732 4.211 ( 0.000 -5.390 0.000) 5.390 4.211 ( 0.000 5.390 0.000) 5.390 4.409 ( 0.000 -2.141 0.000) 2.141 4.409 ( 0.000 2.141 0.000) 2.141 4.574 ( 0.000 -4.841 0.000) 4.841 4.574 ( 0.000 4.841 0.000) 4.841 4.821 ( 0.000 -4.512 0.000) 4.512 4.821 ( 0.000 4.512 0.000) 4.512 5.111 ( 0.000 -1.272 0.000) 1.272 5.111 ( 0.000 1.272 0.000) 1.272 5.176 ( 0.000 -0.302 0.000) 0.302 5.176 ( 0.000 0.302 0.000) 0.302 5.234 ( 0.000 -5.605 0.000) 5.605 5.234 ( 0.000 5.605 0.000) 5.605 5.396 ( 0.000 -2.218 0.000) 2.218 5.396 ( 0.000 2.219 0.000) 2.219 5.483 ( 0.000 -0.809 0.000) 0.809 5.483 ( 0.000 0.809 0.000) 0.809 5.776 ( 0.000 -0.417 0.000) 0.417 5.776 ( 0.000 0.417 0.000) 0.417 6.280 ( 0.000 -5.863 0.000) 5.863 6.280 ( 0.000 5.863 0.000) 5.863 6.324 ( 0.000 -0.250 0.000) 0.250 6.324 ( 0.000 0.250 0.000) 0.250 6.608 ( 0.000 -0.726 0.000) 0.726 6.608 ( 0.000 0.726 0.000) 0.726 6.799 ( 0.000 -5.428 0.000) 5.428 6.799 ( 0.000 5.428 0.000) 5.428 6.938 ( 0.000 -7.073 0.000) 7.073 6.938 ( 0.000 7.073 0.000) 7.073 7.325 ( 0.000 -3.419 0.000) 3.419 7.325 ( 0.000 3.419 0.000) 3.419 7.495 ( 0.000 -1.262 0.000) 1.262 7.495 ( 0.000 1.262 0.000) 1.262 7.772 ( 0.000 -0.454 0.000) 0.454 7.772 ( 0.000 0.454 0.000) 0.454 7.931 ( 0.000 -1.183 0.000) 1.183 7.931 ( 0.000 1.183 0.000) 1.183 8.186 ( 0.000 -1.238 0.000) 1.238 8.186 ( 0.000 1.238 0.000) 1.238 8.477 ( 0.000 -6.973 0.000) 6.973 8.477 ( 0.000 6.973 0.000) 6.973 8.779 ( 0.000 -0.072 0.000) 0.072 8.779 ( 0.000 0.072 0.000) 0.072 8.905 ( 0.000 -4.816 0.000) 4.816 8.905 ( 0.000 4.816 0.000) 4.816 9.183 ( 0.000 -3.712 0.000) 3.712 9.183 ( 0.000 3.712 0.000) 3.712 9.520 ( 0.000 -1.395 0.000) 1.395 9.520 ( 0.000 1.395 0.000) 1.395 9.944 ( 0.000 -0.973 0.000) 0.973 9.944 ( 0.000 0.973 0.000) 0.973 10.198 ( 0.000 -0.808 0.000) 0.808 10.198 ( 0.000 0.808 0.000) 0.808 10.656 ( 0.000 -4.186 0.000) 4.186 10.656 ( 0.000 4.186 0.000) 4.186 10.788 ( 0.000 -2.678 0.000) 2.678 10.788 ( 0.000 2.678 0.000) 2.678 11.069 ( 0.000 -4.505 0.000) 4.505 11.069 ( 0.000 4.505 0.000) 4.505 11.582 ( 0.000 -2.546 0.000) 2.546 11.582 ( 0.000 2.546 0.000) 2.546 11.795 ( 0.000 -2.197 0.000) 2.197 11.795 ( 0.000 2.197 0.000) 2.197 12.127 ( 0.000 -7.582 0.000) 7.582 12.127 ( 0.000 7.582 0.000) 7.582 12.149 ( 0.000 -1.258 0.000) 1.258 12.149 ( 0.000 1.258 0.000) 1.258 12.479 ( 0.000 -1.627 0.000) 1.627 12.479 ( 0.000 1.627 0.000) 1.627 12.706 ( 0.000 -1.641 0.000) 1.641 12.706 ( 0.000 1.641 0.000) 1.641 12.891 ( 0.000 -7.260 0.000) 7.260 12.891 ( 0.000 7.260 0.000) 7.260 13.335 ( 0.000 -0.930 0.000) 0.930 13.335 ( 0.000 0.930 0.000) 0.930 13.979 ( 0.000 -2.856 0.000) 2.856 13.979 ( 0.000 2.856 0.000) 2.856 14.051 ( 0.000 -0.137 0.000) 0.137 14.051 ( 0.000 0.137 0.000) 0.137 15.495 ( 0.000 -8.220 0.000) 8.220 15.495 ( 0.000 8.220 0.000) 8.220 15.640 ( 0.000 -10.749 0.000) 10.749 15.640 ( 0.000 10.749 0.000) 10.749 15.975 ( 0.000 -1.033 0.000) 1.033 15.975 ( 0.000 1.033 0.000) 1.033 16.569 ( 0.000 -1.998 0.000) 1.998 16.569 ( 0.000 1.998 0.000) 1.998 17.637 ( 0.000 -2.408 0.000) 2.408 17.637 ( 0.000 2.408 0.000) 2.408 20.769 ( 0.000 -19.397 0.000) 19.397 20.769 ( 0.000 19.397 0.000) 19.397 21.700 ( 0.000 -2.616 0.000) 2.616 21.700 ( 0.000 2.616 0.000) 2.616 21.997 ( 0.000 -8.928 0.000) 8.928 21.997 ( 0.000 8.928 0.000) 8.928 23.400 ( 0.000 -9.973 0.000) 9.973 23.400 ( 0.000 9.973 0.000) 9.973 23.533 ( 0.000 -4.798 0.000) 4.798 23.533 ( 0.000 4.798 0.000) 4.798 24.030 ( 0.000 -6.821 0.000) 6.821 24.030 ( 0.000 6.821 0.000) 6.821 25.113 ( 0.000 -1.985 0.000) 1.985 25.113 ( 0.000 1.985 0.000) 1.985 25.650 ( 0.000 -9.449 0.000) 9.449 25.650 ( 0.000 9.449 0.000) 9.449 26.223 ( 0.000 -4.697 0.000) 4.697 26.223 ( 0.000 4.697 0.000) 4.697 26.989 ( 0.000 -4.859 0.000) 4.859 26.989 ( 0.000 4.859 0.000) 4.859 27.212 ( 0.000 -0.997 0.000) 0.997 27.212 ( 0.000 0.997 0.000) 0.997 27.847 ( 0.000 -5.021 0.000) 5.021 27.847 ( 0.000 5.021 0.000) 5.021 28.090 ( 0.000 -0.597 0.000) 0.597 28.090 ( 0.000 0.597 0.000) 0.597 ======================= Grid point 35 (20/64) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 1.884 -14.457 -13.522) 19.885 1.298 ( 1.884 14.457 -13.522) 19.885 1.436 ( 0.216 -16.664 4.031) 17.146 1.436 ( 0.216 16.664 4.031) 17.146 1.945 ( 2.585 -11.269 -4.195) 12.299 1.945 ( 2.585 11.269 -4.195) 12.299 2.268 ( 15.456 -8.468 4.541) 18.199 2.268 ( 15.456 8.468 4.541) 18.199 2.467 ( 4.069 -2.729 5.016) 7.012 2.467 ( 4.069 2.729 5.016) 7.012 2.769 ( 12.055 -1.119 -1.147) 12.161 2.769 ( 12.055 1.119 -1.147) 12.161 2.827 ( 4.415 -1.507 5.480) 7.197 2.827 ( 4.415 1.507 5.480) 7.197 2.917 ( -1.787 -1.133 -4.282) 4.776 2.917 ( -1.787 1.133 -4.282) 4.776 3.233 ( -3.308 -3.673 2.119) 5.378 3.233 ( -3.308 3.673 2.119) 5.378 3.394 ( -0.782 -9.992 -2.284) 10.280 3.394 ( -0.782 9.992 -2.284) 10.280 3.488 ( 2.501 -4.596 -1.427) 5.423 3.488 ( 2.501 4.596 -1.427) 5.423 3.807 ( 4.855 -2.399 7.899) 9.577 3.807 ( 4.855 2.399 7.899) 9.577 3.909 ( -2.424 -1.834 0.235) 3.049 3.909 ( -2.424 1.834 0.235) 3.049 4.060 ( -1.776 -0.900 -3.705) 4.206 4.060 ( -1.776 0.900 -3.705) 4.206 4.266 ( 4.928 -3.570 -4.839) 7.775 4.266 ( 4.928 3.570 -4.839) 7.775 4.465 ( 5.334 -2.593 -5.116) 7.832 4.465 ( 5.334 2.593 -5.116) 7.832 4.615 ( 3.080 -2.242 7.332) 8.262 4.615 ( 3.080 2.242 7.332) 8.262 4.834 ( 0.121 -5.693 4.644) 7.348 4.834 ( 0.121 5.693 4.644) 7.348 5.032 ( -3.967 -0.787 -2.366) 4.686 5.032 ( -3.967 0.787 -2.366) 4.686 5.131 ( -4.440 -3.864 -3.821) 7.017 5.131 ( -4.440 3.864 -3.821) 7.017 5.255 ( 1.504 -2.592 4.678) 5.555 5.255 ( 1.504 2.592 4.678) 5.555 5.362 ( -1.950 -4.712 1.141) 5.225 5.362 ( -1.950 4.712 1.141) 5.225 5.558 ( 5.240 -3.079 -7.094) 9.342 5.558 ( 5.240 3.079 -7.094) 9.342 5.804 ( 2.564 -2.986 1.767) 4.314 5.804 ( 2.564 2.986 1.767) 4.314 6.215 ( -4.100 -4.722 0.049) 6.253 6.215 ( -4.100 4.722 0.049) 6.253 6.413 ( 2.925 -6.099 0.406) 6.776 6.413 ( 2.925 6.099 0.406) 6.776 6.561 ( -4.252 -1.835 -0.062) 4.631 6.561 ( -4.252 1.835 -0.062) 4.631 6.824 ( -1.443 -7.057 -0.524) 7.222 6.824 ( -1.443 7.057 -0.524) 7.222 7.019 ( 9.059 -2.590 -0.867) 9.462 7.019 ( 9.059 2.590 -0.867) 9.462 7.345 ( 0.901 -2.596 5.476) 6.127 7.345 ( 0.901 2.596 5.476) 6.127 7.485 ( -0.715 -1.983 -2.808) 3.511 7.485 ( -0.715 1.983 -2.808) 3.511 7.748 ( -2.290 -4.199 -0.878) 4.863 7.748 ( -2.290 4.199 -0.878) 4.863 7.907 ( -1.332 -2.444 -0.248) 2.795 7.907 ( -1.332 2.444 -0.248) 2.795 8.158 ( -1.625 -3.406 0.627) 3.826 8.158 ( -1.625 3.406 0.627) 3.826 8.445 ( -3.431 -4.330 0.912) 5.599 8.445 ( -3.431 4.330 0.912) 5.599 8.774 ( 1.734 -0.591 -7.183) 7.413 8.774 ( 1.734 0.591 -7.183) 7.413 8.899 ( -3.905 -3.915 3.754) 6.683 8.899 ( -3.905 3.915 3.754) 6.683 9.169 ( -1.312 -3.922 4.513) 6.122 9.169 ( -1.312 3.922 4.513) 6.122 9.489 ( -1.280 -2.432 -2.435) 3.672 9.489 ( -1.280 2.432 -2.435) 3.672 9.969 ( 2.201 -4.742 -0.542) 5.256 9.969 ( 2.201 4.742 -0.542) 5.256 10.181 ( -1.530 -4.023 -2.282) 4.871 10.181 ( -1.530 4.023 -2.282) 4.871 10.648 ( -2.000 -3.449 2.789) 4.866 10.648 ( -2.000 3.449 2.789) 4.866 10.808 ( 1.654 -3.121 -1.045) 3.683 10.808 ( 1.654 3.121 -1.045) 3.683 11.068 ( -0.014 -5.391 -0.693) 5.435 11.068 ( -0.014 5.391 -0.693) 5.435 11.507 ( -6.453 -1.496 -2.328) 7.021 11.507 ( -6.453 1.496 -2.328) 7.021 11.758 ( -4.093 -1.489 2.958) 5.265 11.758 ( -4.093 1.489 2.958) 5.265 11.935 ( -4.138 -5.990 -0.641) 7.308 11.935 ( -4.138 5.990 -0.641) 7.308 12.290 ( 0.471 -3.036 1.927) 3.626 12.290 ( 0.471 3.036 1.927) 3.626 12.426 ( -0.826 -0.608 -0.130) 1.034 12.426 ( -0.826 0.608 -0.130) 1.034 12.733 ( -1.841 -0.653 0.674) 2.066 12.733 ( -1.841 0.653 0.674) 2.066 12.914 ( 5.682 -8.488 0.885) 10.253 12.914 ( 5.682 8.488 0.885) 10.253 13.440 ( 6.996 -0.647 1.128) 7.116 13.440 ( 6.996 0.647 1.128) 7.116 13.833 ( -8.783 -2.180 -4.164) 9.962 13.833 ( -8.783 2.180 -4.164) 9.962 14.044 ( -3.426 -1.210 2.231) 4.264 14.044 ( -3.426 1.210 2.231) 4.264 15.517 ( -0.052 -9.597 0.663) 9.620 15.517 ( -0.052 9.597 0.663) 9.620 15.642 ( -0.364 -8.066 -0.413) 8.085 15.642 ( -0.364 8.066 -0.413) 8.085 16.051 ( 7.553 -5.818 -0.863) 9.573 16.051 ( 7.553 5.818 -0.863) 9.573 17.093 ( 45.041 -6.449 -0.699) 45.505 17.093 ( 45.041 6.449 -0.699) 45.505 17.615 ( -2.010 -1.252 -0.002) 2.368 17.615 ( -2.010 1.252 -0.002) 2.368 20.677 ( -9.688 -14.180 2.068) 17.298 20.677 ( -9.688 14.180 2.068) 17.298 21.686 ( -1.409 -6.752 -0.298) 6.904 21.686 ( -1.409 6.752 -0.298) 6.904 21.951 ( -3.014 -10.894 0.003) 11.303 21.951 ( -3.014 10.894 0.003) 11.303 23.287 ( -9.579 -6.767 -0.643) 11.746 23.287 ( -9.579 6.767 -0.643) 11.746 23.438 ( -7.899 -2.753 -0.523) 8.381 23.438 ( -7.899 2.753 -0.523) 8.381 24.082 ( 3.288 -4.793 2.773) 6.440 24.082 ( 3.288 4.793 2.773) 6.440 25.107 ( -1.816 -1.617 2.125) 3.230 25.107 ( -1.816 1.617 2.125) 3.230 25.692 ( 4.280 -8.384 -4.950) 10.635 25.692 ( 4.280 8.384 -4.950) 10.635 26.207 ( -2.139 -5.176 2.752) 6.240 26.207 ( -2.139 5.176 2.752) 6.240 26.967 ( -1.455 -5.272 -0.936) 5.549 26.967 ( -1.455 5.272 -0.936) 5.549 27.223 ( 0.320 -5.248 0.045) 5.258 27.223 ( 0.320 5.248 0.045) 5.258 27.769 ( -5.140 -8.406 -0.376) 9.860 27.769 ( -5.140 8.406 -0.376) 9.860 28.167 ( 5.382 -2.001 0.243) 5.747 28.167 ( 5.382 2.001 0.243) 5.747 ======================= Grid point 37 (21/64) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 15.168 -17.789 -5.221) 23.954 1.388 ( 15.168 17.789 -5.221) 23.954 1.667 ( 15.107 -11.341 0.318) 18.893 1.667 ( 15.107 11.341 0.318) 18.893 1.971 ( 2.178 -4.008 -6.256) 7.742 1.971 ( 2.178 4.008 -6.256) 7.742 2.417 ( 1.366 -5.620 4.258) 7.183 2.417 ( 1.366 5.620 4.258) 7.183 2.667 ( 7.434 -5.437 2.229) 9.476 2.667 ( 7.434 5.437 2.229) 9.476 2.874 ( 4.176 -2.046 -5.506) 7.208 2.874 ( 4.176 2.046 -5.506) 7.208 2.927 ( 4.597 -3.322 5.084) 7.617 2.927 ( 4.597 3.322 5.084) 7.617 3.052 ( 9.045 -2.813 6.783) 11.650 3.052 ( 9.045 2.813 6.783) 11.650 3.271 ( 7.113 -6.765 -1.738) 9.969 3.271 ( 7.113 6.765 -1.738) 9.969 3.402 ( 2.518 -2.488 -0.141) 3.543 3.402 ( 2.518 2.488 -0.141) 3.543 3.577 ( 4.890 -7.414 2.099) 9.127 3.577 ( 4.890 7.414 2.099) 9.127 3.807 ( -2.866 -4.979 -1.288) 5.887 3.807 ( -2.866 4.979 -1.288) 5.887 3.933 ( 4.840 -1.982 1.198) 5.365 3.933 ( 4.840 1.982 1.198) 5.365 4.083 ( 3.532 -3.530 -4.046) 6.427 4.083 ( 3.532 3.530 -4.046) 6.427 4.322 ( 1.759 -1.611 -4.919) 5.467 4.322 ( 1.759 1.611 -4.919) 5.467 4.584 ( 7.790 -4.686 -3.609) 9.781 4.584 ( 7.790 4.686 -3.609) 9.781 4.716 ( 3.295 -4.432 4.481) 7.112 4.716 ( 3.295 4.432 4.481) 7.112 4.832 ( -2.976 -8.627 6.316) 11.099 4.832 ( -2.976 8.627 6.316) 11.099 4.964 ( -2.963 -3.955 2.118) 5.377 4.964 ( -2.963 3.955 2.118) 5.377 5.069 ( 1.043 -4.901 -2.933) 5.806 5.069 ( 1.043 4.901 -2.933) 5.806 5.278 ( 0.118 -6.841 0.646) 6.872 5.278 ( 0.118 6.841 0.646) 6.872 5.358 ( 2.176 -3.459 -0.973) 4.200 5.358 ( 2.176 3.459 -0.973) 4.200 5.619 ( 2.861 -3.806 -6.520) 8.074 5.619 ( 2.861 3.806 -6.520) 8.074 5.860 ( 0.805 -3.561 2.666) 4.520 5.860 ( 0.805 3.561 2.665) 4.520 6.135 ( -3.118 -5.103 -1.281) 6.116 6.135 ( -3.118 5.103 -1.281) 6.116 6.376 ( -5.632 -3.058 2.354) 6.827 6.376 ( -5.632 3.058 2.354) 6.827 6.449 ( -6.760 -6.837 1.283) 9.700 6.449 ( -6.760 6.837 1.283) 9.700 6.765 ( -3.152 -4.069 -0.511) 5.172 6.765 ( -3.152 4.069 -0.511) 5.172 7.130 ( 0.639 -2.836 -3.763) 4.755 7.130 ( 0.639 2.836 -3.763) 4.755 7.387 ( -2.170 -4.646 10.918) 12.063 7.387 ( -2.170 4.646 10.918) 12.063 7.444 ( 0.312 -2.403 -6.022) 6.491 7.444 ( 0.312 2.403 -6.022) 6.491 7.678 ( -3.818 -4.418 1.755) 6.097 7.678 ( -3.818 4.418 1.755) 6.097 7.903 ( 1.008 -5.405 -5.592) 7.842 7.903 ( 1.008 5.405 -5.592) 7.842 8.173 ( 2.317 -2.961 3.691) 5.269 8.173 ( 2.317 2.961 3.691) 5.269 8.370 ( -4.076 -1.576 4.378) 6.186 8.370 ( -4.076 1.576 4.378) 6.186 8.705 ( -8.030 -2.896 -3.262) 9.138 8.705 ( -8.030 2.896 -3.262) 9.138 8.844 ( 1.593 -2.724 -6.705) 7.411 8.844 ( 1.593 2.724 -6.705) 7.411 9.161 ( -1.626 -2.209 5.997) 6.594 9.161 ( -1.626 2.209 5.997) 6.594 9.486 ( 1.382 -4.388 -2.074) 5.046 9.486 ( 1.382 4.388 -2.074) 5.046 10.001 ( -0.101 -3.580 -2.077) 4.140 10.001 ( -0.101 3.580 -2.077) 4.140 10.113 ( -3.864 -5.757 0.894) 6.991 10.113 ( -3.864 5.757 0.894) 6.991 10.590 ( -4.432 -2.681 3.780) 6.413 10.590 ( -4.432 2.681 3.780) 6.413 10.808 ( -1.199 -3.854 -2.343) 4.667 10.808 ( -1.199 3.854 -2.343) 4.667 11.086 ( 2.864 -4.890 -2.915) 6.373 11.086 ( 2.864 4.890 -2.915) 6.373 11.384 ( -4.604 -1.516 1.416) 5.050 11.384 ( -4.604 1.516 1.416) 5.050 11.681 ( -4.058 -1.755 2.025) 4.863 11.681 ( -4.058 1.755 2.025) 4.863 11.892 ( -2.554 -3.775 -0.579) 4.594 11.892 ( -2.554 3.775 -0.579) 4.594 12.274 ( 1.034 -4.630 3.112) 5.673 12.274 ( 1.034 4.630 3.112) 5.673 12.420 ( -3.353 -0.483 2.919) 4.472 12.420 ( -3.353 0.483 2.919) 4.472 12.730 ( 4.375 -0.868 -4.536) 6.361 12.730 ( 4.375 0.868 -4.536) 6.361 13.063 ( 6.997 -7.397 0.236) 10.185 13.063 ( 6.997 7.397 0.236) 10.185 13.476 ( -5.556 -0.996 -0.934) 5.721 13.476 ( -5.556 0.996 -0.934) 5.721 13.725 ( 1.157 -0.470 -2.724) 2.997 13.725 ( 1.157 0.470 -2.724) 2.997 13.948 ( -5.862 -1.717 3.315) 6.949 13.948 ( -5.862 1.717 3.315) 6.949 15.496 ( -2.051 -9.002 1.511) 9.356 15.496 ( -2.051 9.002 1.511) 9.356 15.626 ( -0.096 -6.993 -2.827) 7.543 15.626 ( -0.096 6.993 -2.827) 7.543 16.224 ( 8.573 -7.790 0.901) 11.619 16.224 ( 8.573 7.790 0.901) 11.619 17.544 ( -3.924 -1.242 -0.147) 4.118 17.544 ( -3.924 1.242 -0.147) 4.118 18.063 ( 43.825 -10.197 -1.334) 45.015 18.063 ( 43.825 10.197 -1.334) 45.015 20.404 ( -16.552 -5.378 1.116) 17.440 20.404 ( -16.552 5.378 1.116) 17.440 21.648 ( -1.446 -9.619 -1.399) 9.827 21.648 ( -1.446 9.619 -1.399) 9.827 21.925 ( 0.215 -10.666 1.807) 10.820 21.925 ( 0.215 10.666 1.807) 10.820 23.073 ( -10.656 -4.741 1.212) 11.726 23.073 ( -10.656 4.741 1.212) 11.726 23.247 ( -9.890 -4.628 -1.259) 10.991 23.247 ( -9.890 4.628 -1.259) 10.991 24.150 ( 2.625 -3.935 1.036) 4.842 24.150 ( 2.625 3.935 1.036) 4.842 25.024 ( -7.193 -0.331 1.841) 7.432 25.024 ( -7.193 0.331 1.841) 7.432 25.757 ( 3.366 -6.393 -4.320) 8.418 25.757 ( 3.366 6.393 -4.320) 8.418 26.151 ( -4.523 -4.889 3.108) 7.349 26.151 ( -4.523 4.889 3.108) 7.349 26.937 ( -1.190 -4.395 -0.759) 4.616 26.937 ( -1.190 4.395 -0.759) 4.616 27.207 ( -1.684 -7.003 -0.689) 7.236 27.207 ( -1.684 7.003 -0.689) 7.236 27.696 ( -1.647 -9.137 0.136) 9.286 27.696 ( -1.647 9.137 0.136) 9.286 28.262 ( 3.517 -1.514 0.116) 3.831 28.262 ( 3.517 1.514 0.116) 3.831 ======================= Grid point 39 (22/64) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 19.394 -8.221 -0.647) 21.074 1.781 ( 19.394 8.221 -0.647) 21.074 1.947 ( 8.656 -5.999 -0.989) 10.578 1.947 ( 8.656 5.999 -0.989) 10.578 2.033 ( 10.240 -2.118 -0.489) 10.468 2.033 ( 10.240 2.118 -0.489) 10.468 2.430 ( -0.505 -1.946 3.042) 3.646 2.430 ( -0.505 1.946 3.042) 3.646 2.738 ( 1.759 -3.295 0.605) 3.783 2.738 ( 1.759 3.295 0.605) 3.784 2.959 ( 1.401 -1.516 5.509) 5.883 2.959 ( 1.401 1.516 5.509) 5.883 3.108 ( 12.900 -3.572 -7.621) 15.404 3.108 ( 12.900 3.572 -7.621) 15.404 3.203 ( 4.442 -3.649 1.256) 5.885 3.203 ( 4.442 3.649 1.256) 5.885 3.321 ( -1.454 -4.047 2.494) 4.971 3.321 ( -1.454 4.047 2.494) 4.971 3.538 ( 9.460 -2.155 -1.502) 9.818 3.538 ( 9.460 2.155 -1.502) 9.818 3.715 ( 5.882 -0.447 6.469) 8.755 3.715 ( 5.882 0.447 6.469) 8.755 3.826 ( 6.999 -2.852 -5.607) 9.411 3.826 ( 6.999 2.852 -5.607) 9.411 4.021 ( 1.529 -2.514 -1.959) 3.535 4.021 ( 1.529 2.514 -1.959) 3.535 4.163 ( 4.935 -3.779 -1.861) 6.489 4.163 ( 4.935 3.779 -1.861) 6.489 4.307 ( 0.900 -1.818 -4.108) 4.582 4.307 ( 0.900 1.818 -4.108) 4.582 4.683 ( -2.351 -4.377 1.769) 5.274 4.683 ( -2.351 4.377 1.769) 5.274 4.736 ( 0.343 -6.334 -0.944) 6.413 4.736 ( 0.343 6.334 -0.944) 6.413 4.806 ( -1.300 -6.915 3.717) 7.957 4.806 ( -1.300 6.915 3.717) 7.957 4.903 ( -0.891 -5.479 0.633) 5.587 4.903 ( -0.891 5.479 0.633) 5.587 5.157 ( 4.298 -3.424 3.254) 6.386 5.157 ( 4.298 3.424 3.254) 6.386 5.308 ( 3.723 -5.076 -2.839) 6.905 5.308 ( 3.723 5.076 -2.839) 6.905 5.422 ( 3.928 -2.642 -0.009) 4.734 5.422 ( 3.928 2.642 -0.009) 4.734 5.611 ( -1.531 -2.700 -4.888) 5.790 5.611 ( -1.531 2.700 -4.888) 5.790 5.811 ( -5.073 -2.933 -3.933) 7.057 5.811 ( -5.073 2.933 -3.933) 7.057 6.083 ( -3.167 -1.627 4.659) 5.864 6.083 ( -3.167 1.627 4.659) 5.864 6.292 ( -4.402 -4.140 0.556) 6.068 6.292 ( -4.402 4.140 0.556) 6.068 6.326 ( -2.970 -0.246 5.725) 6.454 6.326 ( -2.970 0.246 5.725) 6.454 6.686 ( -5.078 -1.181 -0.839) 5.281 6.686 ( -5.078 1.181 -0.839) 5.281 7.062 ( -3.723 -3.119 -6.256) 7.921 7.062 ( -3.723 3.119 -6.256) 7.921 7.317 ( -3.723 -2.092 2.619) 5.010 7.317 ( -3.723 2.092 2.619) 5.010 7.463 ( -1.404 -1.066 4.152) 4.511 7.463 ( -1.404 1.066 4.152) 4.511 7.627 ( -1.316 -1.856 0.234) 2.287 7.627 ( -1.316 1.856 0.234) 2.287 7.890 ( -0.288 -4.874 -3.643) 6.092 7.890 ( -0.288 4.874 -3.643) 6.092 8.205 ( -2.762 -5.449 5.304) 8.090 8.205 ( -2.762 5.449 5.304) 8.090 8.331 ( -0.684 -2.573 2.855) 3.903 8.331 ( -0.684 2.573 2.855) 3.903 8.551 ( -4.203 -4.482 -3.423) 7.033 8.551 ( -4.203 4.482 -3.423) 7.033 8.865 ( 2.863 -3.053 -7.408) 8.509 8.865 ( 2.863 3.053 -7.408) 8.509 9.152 ( -1.049 -1.781 4.505) 4.956 9.152 ( -1.049 1.781 4.505) 4.956 9.484 ( -1.773 -3.295 -2.676) 4.600 9.484 ( -1.773 3.295 -2.676) 4.600 9.911 ( -5.693 -3.319 0.388) 6.601 9.911 ( -5.693 3.319 0.388) 6.601 10.099 ( 0.929 -5.872 -0.125) 5.946 10.099 ( 0.929 5.872 -0.125) 5.946 10.512 ( -4.591 -2.828 5.227) 7.510 10.512 ( -4.591 2.828 5.227) 7.510 10.768 ( -1.172 -4.046 -4.667) 6.287 10.768 ( -1.172 4.046 -4.667) 6.287 11.134 ( 1.991 -3.057 -3.410) 4.994 11.134 ( 1.991 3.057 -3.410) 4.994 11.321 ( -3.217 -1.232 6.366) 7.239 11.321 ( -3.217 1.232 6.366) 7.239 11.631 ( -0.171 -3.220 -1.306) 3.479 11.631 ( -0.171 3.220 -1.306) 3.479 11.810 ( -4.615 -3.820 -0.102) 5.991 11.810 ( -4.615 3.820 -0.102) 5.991 12.318 ( -5.248 -0.759 -0.475) 5.324 12.318 ( -5.248 0.759 -0.475) 5.324 12.374 ( 5.185 -6.248 5.128) 9.603 12.374 ( 5.185 6.248 5.128) 9.603 12.827 ( 4.208 -1.271 -4.497) 6.289 12.827 ( 4.208 1.271 -4.497) 6.289 13.151 ( 1.365 -2.774 -1.168) 3.305 13.151 ( 1.365 2.774 -1.168) 3.305 13.363 ( -1.894 -2.390 0.125) 3.052 13.363 ( -1.894 2.390 0.125) 3.052 13.736 ( -0.904 -3.085 -1.044) 3.380 13.736 ( -0.904 3.085 -1.044) 3.380 13.876 ( -1.986 -1.392 2.020) 3.156 13.876 ( -1.986 1.392 2.020) 3.156 15.456 ( -2.062 -7.762 1.736) 8.217 15.456 ( -2.062 7.762 1.736) 8.217 15.617 ( -0.300 -6.380 -2.621) 6.904 15.617 ( -0.300 6.380 -2.621) 6.904 16.398 ( 8.345 -6.092 0.927) 10.373 16.398 ( 8.345 6.092 0.927) 10.373 17.441 ( -5.936 -2.797 -0.038) 6.562 17.441 ( -5.936 2.797 -0.038) 6.562 18.766 ( 25.312 -6.431 -0.748) 26.127 18.766 ( 25.312 6.431 -0.748) 26.127 20.075 ( -14.687 -2.037 0.125) 14.828 20.075 ( -14.687 2.037 0.125) 14.828 21.634 ( 0.736 -8.444 -1.846) 8.675 21.634 ( 0.736 8.444 -1.846) 8.675 21.954 ( 1.525 -8.010 1.642) 8.318 21.954 ( 1.525 8.010 1.642) 8.318 22.872 ( -9.827 -2.730 2.010) 10.396 22.872 ( -9.827 2.730 2.010) 10.396 23.055 ( -8.059 -4.518 -0.862) 9.279 23.055 ( -8.059 4.518 -0.862) 9.279 24.209 ( 3.503 -3.966 -0.614) 5.328 24.209 ( 3.503 3.966 -0.614) 5.328 24.846 ( -10.130 -2.237 1.071) 10.429 24.846 ( -10.130 2.237 1.071) 10.429 25.796 ( 1.606 -4.133 -1.696) 4.747 25.796 ( 1.606 4.133 -1.696) 4.747 26.049 ( -6.007 -3.937 1.404) 7.318 26.049 ( -6.007 3.937 1.404) 7.318 26.907 ( -1.588 -2.705 -0.293) 3.150 26.907 ( -1.588 2.705 -0.293) 3.150 27.168 ( -1.582 -5.392 -0.548) 5.646 27.168 ( -1.582 5.392 -0.548) 5.646 27.696 ( 1.111 -6.589 0.207) 6.685 27.696 ( 1.111 6.589 0.207) 6.685 28.306 ( 0.874 -0.960 0.021) 1.299 28.306 ( 0.874 0.960 0.021) 1.299 ======================= Grid point 41 (23/64) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 1.886 -1.660 -1.902) 3.151 1.965 ( 1.886 1.660 -1.902) 3.151 2.071 ( 6.117 -3.457 -1.926) 7.285 2.071 ( 6.117 3.457 -1.926) 7.285 2.378 ( 10.601 -6.590 5.450) 13.621 2.378 ( 10.601 6.591 5.450) 13.621 2.480 ( 9.327 -2.808 3.036) 10.203 2.480 ( 9.327 2.808 3.036) 10.203 2.758 ( 0.520 -2.156 0.292) 2.237 2.758 ( 0.520 2.156 0.292) 2.237 2.975 ( -0.935 -3.153 5.536) 6.439 2.975 ( -0.935 3.153 5.536) 6.439 3.186 ( 0.177 -0.939 -2.562) 2.734 3.186 ( 0.177 0.939 -2.562) 2.734 3.292 ( 0.019 -2.782 0.733) 2.877 3.292 ( 0.019 2.782 0.733) 2.877 3.442 ( 13.962 -6.813 -7.643) 17.314 3.442 ( 13.962 6.813 -7.643) 17.314 3.658 ( 2.658 -2.587 -1.785) 4.116 3.658 ( 2.658 2.587 -1.785) 4.116 3.807 ( -5.334 -1.537 2.772) 6.205 3.807 ( -5.334 1.537 2.772) 6.205 3.935 ( 5.156 -7.438 -3.121) 9.573 3.935 ( 5.156 7.438 -3.121) 9.573 4.053 ( 5.983 -1.822 -3.905) 7.374 4.053 ( 5.983 1.822 -3.905) 7.374 4.198 ( 3.701 -0.787 1.050) 3.927 4.198 ( 3.701 0.787 1.050) 3.927 4.421 ( 5.528 -1.841 0.872) 5.891 4.421 ( 5.528 1.841 0.872) 5.891 4.559 ( -5.605 -4.651 2.679) 7.760 4.559 ( -5.605 4.651 2.679) 7.760 4.730 ( -1.531 -5.903 -1.528) 6.286 4.730 ( -1.531 5.903 -1.528) 6.286 4.794 ( 0.563 -2.715 -1.571) 3.187 4.794 ( 0.563 2.715 -1.571) 3.187 4.937 ( 0.819 -6.220 3.421) 7.146 4.937 ( 0.819 6.220 3.421) 7.146 5.174 ( -1.954 -1.382 -0.208) 2.402 5.174 ( -1.954 1.382 -0.208) 2.402 5.372 ( 1.155 -3.104 -0.205) 3.319 5.372 ( 1.155 3.104 -0.205) 3.319 5.449 ( -4.054 -5.509 -0.147) 6.841 5.449 ( -4.054 5.509 -0.147) 6.841 5.599 ( 4.078 -4.467 -2.353) 6.491 5.599 ( 4.078 4.467 -2.353) 6.491 5.711 ( -1.444 -1.781 -1.870) 2.959 5.711 ( -1.444 1.781 -1.870) 2.959 6.025 ( -3.885 -2.364 5.311) 6.992 6.025 ( -3.885 2.364 5.311) 6.992 6.229 ( -1.224 -7.471 1.405) 7.700 6.229 ( -1.224 7.471 1.405) 7.700 6.348 ( 1.186 -6.369 1.768) 6.716 6.348 ( 1.186 6.369 1.768) 6.716 6.548 ( -6.844 -4.808 -2.273) 8.667 6.548 ( -6.844 4.808 -2.273) 8.667 6.994 ( -0.509 -2.665 -4.201) 5.001 6.994 ( -0.509 2.665 -4.201) 5.001 7.286 ( -0.402 -1.304 2.797) 3.112 7.286 ( -0.402 1.304 2.797) 3.112 7.408 ( -4.142 -1.037 1.334) 4.474 7.408 ( -4.142 1.037 1.334) 4.474 7.620 ( 0.071 -2.529 0.161) 2.535 7.620 ( 0.071 2.529 0.161) 2.535 7.872 ( -0.539 -4.223 -1.048) 4.384 7.872 ( -0.539 4.223 -1.048) 4.384 8.126 ( -4.396 -2.547 2.272) 5.565 8.126 ( -4.396 2.547 2.272) 5.565 8.348 ( 0.610 -1.089 3.057) 3.302 8.348 ( 0.610 1.089 3.057) 3.302 8.503 ( -0.516 -3.628 -2.489) 4.430 8.503 ( -0.516 3.628 -2.489) 4.430 8.903 ( 2.913 -3.454 -5.784) 7.339 8.903 ( 2.913 3.454 -5.784) 7.339 9.148 ( -0.981 -3.198 3.901) 5.139 9.148 ( -0.981 3.198 3.901) 5.139 9.398 ( -4.459 -0.678 -2.637) 5.224 9.398 ( -4.459 0.678 -2.637) 5.224 9.836 ( -2.184 -5.075 1.208) 5.656 9.836 ( -2.184 5.075 1.208) 5.656 10.119 ( 1.651 -4.557 -2.224) 5.333 10.119 ( 1.651 4.557 -2.224) 5.333 10.444 ( -4.088 -1.722 5.038) 6.713 10.444 ( -4.088 1.722 5.038) 6.713 10.737 ( -0.012 -2.908 -4.094) 5.022 10.737 ( -0.012 2.908 -4.094) 5.022 11.127 ( -0.993 -1.868 -3.376) 3.984 11.127 ( -0.993 1.868 -3.376) 3.984 11.303 ( -1.194 -2.755 8.176) 8.710 11.303 ( -1.194 2.755 8.176) 8.710 11.670 ( 3.255 -3.728 -2.847) 5.709 11.670 ( 3.255 3.728 -2.847) 5.709 11.732 ( -2.194 -1.217 1.647) 3.001 11.732 ( -2.194 1.217 1.647) 3.001 12.196 ( -5.688 -0.671 -1.439) 5.905 12.196 ( -5.688 0.671 -1.439) 5.905 12.504 ( 5.537 -3.586 1.598) 6.787 12.504 ( 5.537 3.586 1.598) 6.787 12.799 ( -4.820 -2.490 -1.281) 5.574 12.799 ( -4.820 2.490 -1.281) 5.574 13.197 ( 4.781 -3.093 -3.800) 6.846 13.197 ( 4.781 3.093 -3.800) 6.846 13.372 ( 0.049 -2.142 3.703) 4.278 13.372 ( 0.049 2.142 3.703) 4.278 13.718 ( 0.404 -2.090 -1.487) 2.597 13.718 ( 0.404 2.090 -1.487) 2.597 13.845 ( -2.040 -1.998 0.959) 3.012 13.845 ( -2.040 1.998 0.959) 3.012 15.436 ( -0.492 -6.230 1.383) 6.401 15.436 ( -0.492 6.230 1.383) 6.401 15.589 ( -1.454 -5.492 -1.761) 5.948 15.589 ( -1.454 5.492 -1.761) 5.948 16.562 ( 6.925 -4.101 0.646) 8.074 16.562 ( 6.925 4.101 0.646) 8.074 17.315 ( -5.818 -2.046 -0.033) 6.167 17.315 ( -5.818 2.046 -0.033) 6.167 19.110 ( 9.856 -3.982 -0.280) 10.633 19.110 ( 9.856 3.982 -0.280) 10.633 19.844 ( -7.728 -1.313 0.082) 7.839 19.844 ( -7.728 1.313 0.082) 7.839 21.659 ( 1.789 -5.759 -0.863) 6.092 21.659 ( 1.789 5.759 -0.863) 6.092 21.986 ( 1.213 -5.349 -0.196) 5.489 21.986 ( 1.213 5.349 -0.196) 5.489 22.698 ( -7.280 -1.214 1.508) 7.533 22.698 ( -7.280 1.214 1.508) 7.533 22.928 ( -4.207 -3.355 -0.134) 5.382 22.928 ( -4.207 3.355 -0.134) 5.383 24.297 ( 5.437 -4.104 -0.709) 6.848 24.297 ( 5.437 4.104 -0.709) 6.848 24.646 ( -9.391 -3.699 0.563) 10.109 24.646 ( -9.391 3.699 0.563) 10.109 25.817 ( 0.928 -1.742 0.032) 1.974 25.817 ( 0.928 1.742 0.032) 1.974 25.938 ( -4.624 -3.360 -0.012) 5.716 25.938 ( -4.624 3.360 -0.012) 5.716 26.877 ( -1.127 -1.434 -0.008) 1.823 26.877 ( -1.127 1.434 -0.008) 1.823 27.142 ( -0.822 -2.530 -0.270) 2.674 27.142 ( -0.822 2.530 -0.270) 2.674 27.724 ( 1.294 -3.657 0.069) 3.880 27.724 ( 1.294 3.657 0.069) 3.880 28.308 ( -0.329 -0.615 0.004) 0.698 28.308 ( -0.329 0.615 0.004) 0.698 ======================= Grid point 43 (24/64) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 0.000 -2.267 0.000) 2.267 1.975 ( 0.000 2.267 0.000) 2.267 2.130 ( 0.000 -3.124 -0.000) 3.124 2.130 ( 0.000 3.124 0.000) 3.124 2.442 ( 0.000 -6.660 0.000) 6.660 2.442 ( 0.000 6.660 -0.000) 6.660 2.647 ( 0.000 -2.198 0.000) 2.198 2.647 ( 0.000 2.199 0.000) 2.199 2.777 ( 0.000 -0.086 -0.000) 0.086 2.777 ( 0.000 0.086 -0.000) 0.086 3.019 ( 0.000 -1.468 -0.000) 1.468 3.019 ( 0.000 1.468 0.000) 1.468 3.188 ( 0.000 -2.624 0.000) 2.624 3.188 ( -0.000 2.624 0.000) 2.624 3.261 ( 0.000 -0.665 0.000) 0.665 3.261 ( 0.000 0.665 -0.000) 0.665 3.564 ( 0.000 -2.520 -0.000) 2.520 3.564 ( 0.000 2.520 -0.000) 2.520 3.669 ( -0.000 -0.111 0.000) 0.111 3.669 ( -0.000 0.111 0.000) 0.111 3.721 ( 0.000 -2.010 0.000) 2.010 3.721 ( 0.000 2.010 -0.000) 2.010 3.969 ( 0.000 -1.922 -0.000) 1.922 3.969 ( 0.000 1.922 0.000) 1.922 4.133 ( 0.000 -3.752 0.000) 3.752 4.133 ( 0.000 3.752 0.000) 3.752 4.331 ( 0.000 -3.202 -0.000) 3.202 4.331 ( 0.000 3.202 -0.000) 3.202 4.380 ( -0.000 -0.312 0.000) 0.312 4.380 ( 0.000 0.312 0.000) 0.312 4.568 ( 0.000 -0.973 -0.000) 0.973 4.568 ( 0.000 0.973 0.000) 0.973 4.699 ( -0.000 -6.209 0.000) 6.209 4.699 ( -0.000 6.209 0.000) 6.209 4.801 ( 0.000 -2.949 -0.000) 2.949 4.801 ( 0.000 2.949 -0.000) 2.949 4.939 ( 0.000 -4.189 0.000) 4.189 4.939 ( 0.000 4.189 0.000) 4.189 5.143 ( 0.000 -1.377 0.000) 1.377 5.143 ( 0.000 1.377 0.000) 1.377 5.346 ( 0.000 -4.673 -0.000) 4.673 5.346 ( 0.000 4.673 -0.000) 4.673 5.411 ( 0.000 -1.017 -0.000) 1.017 5.411 ( 0.000 1.017 -0.000) 1.017 5.629 ( 0.000 -0.291 -0.000) 0.291 5.629 ( 0.000 0.291 -0.000) 0.291 5.733 ( 0.000 -0.132 -0.000) 0.132 5.733 ( 0.000 0.132 0.000) 0.132 5.997 ( 0.000 -3.871 0.000) 3.871 5.997 ( 0.000 3.871 0.000) 3.871 6.210 ( 0.000 -5.920 0.000) 5.920 6.210 ( 0.000 5.920 0.000) 5.920 6.366 ( 0.000 -4.285 0.000) 4.285 6.366 ( 0.000 4.285 -0.000) 4.285 6.464 ( 0.000 -1.050 0.000) 1.050 6.464 ( 0.000 1.050 0.000) 1.050 6.990 ( 0.000 -1.261 0.000) 1.261 6.990 ( 0.000 1.261 -0.000) 1.261 7.308 ( 0.000 -4.122 0.000) 4.122 7.308 ( 0.000 4.122 0.000) 4.122 7.341 ( 0.000 -2.842 -0.000) 2.842 7.341 ( -0.000 2.842 -0.000) 2.842 7.622 ( 0.000 -2.854 0.000) 2.854 7.622 ( 0.000 2.854 -0.000) 2.854 7.864 ( 0.000 -4.260 0.000) 4.260 7.864 ( 0.000 4.260 0.000) 4.260 8.083 ( 0.000 -1.708 0.000) 1.708 8.083 ( 0.000 1.708 -0.000) 1.708 8.362 ( 0.000 -1.355 -0.000) 1.355 8.362 ( 0.000 1.355 0.000) 1.355 8.493 ( 0.000 -0.416 0.000) 0.416 8.493 ( 0.000 0.416 -0.000) 0.416 8.926 ( 0.000 -4.049 0.000) 4.049 8.926 ( 0.000 4.049 0.000) 4.049 9.143 ( 0.000 -5.721 0.000) 5.721 9.143 ( 0.000 5.721 -0.000) 5.721 9.340 ( 0.000 -2.747 0.000) 2.747 9.340 ( 0.000 2.747 0.000) 2.747 9.817 ( 0.000 -5.961 -0.000) 5.961 9.817 ( 0.000 5.961 -0.000) 5.961 10.140 ( 0.000 -4.751 0.000) 4.751 10.140 ( 0.000 4.751 0.000) 4.751 10.401 ( 0.000 -1.114 0.000) 1.114 10.401 ( 0.000 1.114 -0.000) 1.114 10.733 ( 0.000 -1.134 0.000) 1.134 10.733 ( 0.000 1.134 -0.000) 1.134 11.104 ( 0.000 -0.571 -0.000) 0.571 11.104 ( 0.000 0.571 -0.000) 0.571 11.311 ( 0.000 -2.124 0.000) 2.124 11.311 ( 0.000 2.124 0.000) 2.124 11.673 ( 0.000 -3.534 0.000) 3.534 11.673 ( 0.000 3.534 -0.000) 3.534 11.754 ( 0.000 -5.660 0.000) 5.660 11.754 ( 0.000 5.660 -0.000) 5.660 12.119 ( 0.000 -1.047 0.000) 1.047 12.119 ( 0.000 1.047 -0.000) 1.047 12.582 ( 0.000 -1.518 -0.000) 1.518 12.582 ( 0.000 1.518 0.000) 1.518 12.720 ( 0.000 -5.153 0.000) 5.153 12.720 ( 0.000 5.153 -0.000) 5.153 13.254 ( 0.000 -1.650 0.000) 1.650 13.254 ( 0.000 1.650 0.000) 1.650 13.374 ( 0.000 -1.554 -0.000) 1.554 13.374 ( 0.000 1.554 -0.000) 1.554 13.729 ( 0.000 -0.406 0.000) 0.406 13.729 ( 0.000 0.406 0.000) 0.406 13.817 ( 0.000 -2.089 -0.000) 2.089 13.817 ( 0.000 2.089 0.000) 2.089 15.437 ( 0.000 -5.801 -0.000) 5.801 15.437 ( 0.000 5.801 0.000) 5.801 15.565 ( 0.000 -5.243 0.000) 5.243 15.565 ( 0.000 5.243 -0.000) 5.243 16.644 ( 0.000 -3.269 -0.000) 3.269 16.644 ( 0.000 3.269 -0.000) 3.269 17.246 ( 0.000 -0.958 0.000) 0.958 17.246 ( 0.000 0.958 0.000) 0.958 19.203 ( 0.000 -5.047 0.000) 5.047 19.203 ( 0.000 5.047 -0.000) 5.047 19.766 ( 0.000 -2.611 -0.000) 2.611 19.766 ( 0.000 2.611 0.000) 2.611 21.679 ( 0.000 -0.230 0.000) 0.230 21.679 ( 0.000 0.230 -0.000) 0.230 21.998 ( 0.000 -2.859 -0.000) 2.859 21.998 ( 0.000 2.859 0.000) 2.859 22.621 ( 0.000 -1.466 -0.000) 1.466 22.621 ( 0.000 1.466 0.000) 1.466 22.885 ( 0.000 -3.260 0.000) 3.260 22.885 ( 0.000 3.260 -0.000) 3.260 24.388 ( 0.000 -2.676 0.000) 2.676 24.388 ( 0.000 2.676 -0.000) 2.676 24.514 ( 0.000 -0.316 0.000) 0.316 24.514 ( 0.000 0.316 -0.000) 0.316 25.832 ( 0.000 -1.237 0.000) 1.237 25.832 ( 0.000 1.237 0.000) 1.237 25.882 ( 0.000 -4.023 -0.000) 4.023 25.882 ( 0.000 4.023 -0.000) 4.023 26.865 ( 0.000 -0.603 -0.000) 0.603 26.865 ( 0.000 0.603 0.000) 0.603 27.133 ( 0.000 -0.348 0.000) 0.348 27.133 ( 0.000 0.348 -0.000) 0.348 27.739 ( 0.000 -2.283 0.000) 2.283 27.739 ( 0.000 2.283 0.000) 2.283 28.303 ( 0.000 -0.546 0.000) 0.546 28.303 ( 0.000 0.546 0.000) 0.546 ======================= Grid point 77 (25/64) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 7.369 0.000 26.508) 27.513 0.771 ( 29.609 0.000 33.769) 44.912 1.049 ( -10.190 0.000 6.886) 12.298 1.370 ( -3.622 0.000 31.614) 31.821 1.520 ( -28.898 0.000 -31.014) 42.391 2.032 ( -4.857 0.000 4.931) 6.922 2.148 ( 6.694 0.000 -19.066) 20.207 2.370 ( 11.141 0.000 -8.392) 13.948 2.494 ( 8.131 0.000 -9.442) 12.460 2.553 ( -12.748 0.000 5.556) 13.906 2.737 ( 0.659 0.000 -5.217) 5.259 2.823 ( 5.170 0.000 1.708) 5.445 2.879 ( -8.225 0.000 -0.113) 8.226 2.885 ( 7.817 0.000 -8.637) 11.649 3.003 ( 0.168 0.000 4.804) 4.807 3.063 ( 3.302 0.000 1.081) 3.474 3.240 ( 4.477 0.000 7.433) 8.677 3.317 ( -6.580 0.000 0.597) 6.607 3.372 ( -0.434 0.000 4.207) 4.229 3.395 ( -4.699 0.000 -1.730) 5.007 3.517 ( 0.700 0.000 3.259) 3.334 3.540 ( -0.879 0.000 4.363) 4.451 3.664 ( 0.730 0.000 3.361) 3.439 3.787 ( -3.020 0.000 -3.881) 4.918 3.950 ( 5.165 0.000 -2.854) 5.901 4.005 ( 3.182 0.000 -4.041) 5.144 4.024 ( -0.553 0.000 -3.063) 3.113 4.121 ( 2.139 0.000 -7.066) 7.383 4.304 ( 5.277 0.000 1.910) 5.612 4.336 ( -2.327 0.000 2.773) 3.620 4.374 ( -6.809 0.000 5.125) 8.522 4.458 ( 6.609 0.000 -3.146) 7.320 4.484 ( -4.264 0.000 -0.762) 4.332 4.507 ( -1.856 0.000 -2.177) 2.861 4.605 ( 2.806 0.000 2.210) 3.572 4.629 ( 0.228 0.000 0.777) 0.809 4.893 ( 4.567 0.000 -1.479) 4.801 4.898 ( -10.694 0.000 0.091) 10.694 4.947 ( -4.217 0.000 -3.517) 5.492 4.947 ( 1.715 0.000 -0.761) 1.876 5.241 ( -1.295 0.000 3.695) 3.916 5.284 ( 0.789 0.000 -1.627) 1.808 5.447 ( -1.300 0.000 4.585) 4.765 5.516 ( 0.917 0.000 -2.411) 2.580 5.662 ( -9.077 0.000 6.449) 11.134 5.739 ( 0.701 0.000 0.868) 1.116 5.818 ( 3.361 0.000 6.330) 7.167 5.891 ( 10.018 0.000 -1.809) 10.180 6.031 ( 1.287 0.000 4.688) 4.861 6.190 ( 1.301 0.000 -4.753) 4.928 6.190 ( 2.374 0.000 6.668) 7.078 6.379 ( -2.197 0.000 -6.800) 7.146 6.539 ( -12.020 0.000 1.861) 12.163 6.563 ( -0.764 0.000 -1.812) 1.967 6.646 ( -2.770 0.000 -9.898) 10.278 6.660 ( 1.063 0.000 -5.177) 5.285 7.036 ( 0.658 0.000 1.674) 1.799 7.104 ( -2.644 0.000 -5.658) 6.246 7.290 ( -7.932 0.000 5.781) 9.815 7.350 ( 9.368 0.000 0.109) 9.369 7.575 ( 2.306 0.000 3.252) 3.987 7.584 ( -6.561 0.000 0.759) 6.605 7.841 ( 1.277 0.000 4.491) 4.670 7.912 ( -4.152 0.000 -1.345) 4.364 8.003 ( -2.925 0.000 3.649) 4.676 8.082 ( 5.033 0.000 -2.031) 5.428 8.156 ( -3.377 0.000 -0.628) 3.435 8.235 ( 0.729 0.000 -8.127) 8.159 8.600 ( -7.565 0.000 4.584) 8.846 8.643 ( -0.433 0.000 3.846) 3.871 8.747 ( 4.173 0.000 -1.290) 4.368 8.811 ( 5.177 0.000 -9.208) 10.564 9.073 ( -7.663 0.000 5.978) 9.719 9.128 ( -0.162 0.000 3.141) 3.146 9.154 ( -0.814 0.000 2.614) 2.738 9.243 ( 7.508 0.000 -6.664) 10.039 9.497 ( -3.088 0.000 0.954) 3.232 9.514 ( 3.994 0.000 -0.111) 3.996 9.917 ( 6.638 0.000 4.910) 8.257 10.011 ( -0.491 0.000 -3.417) 3.452 10.219 ( 6.097 0.000 2.168) 6.471 10.233 ( 0.343 0.000 1.204) 1.252 10.683 ( -2.812 0.000 5.359) 6.052 10.822 ( 4.125 0.000 -5.398) 6.794 10.878 ( -4.399 0.000 0.053) 4.400 10.891 ( 1.168 0.000 -1.151) 1.640 11.137 ( 1.956 0.000 2.706) 3.339 11.210 ( -2.328 0.000 -3.494) 4.199 11.319 ( 2.941 0.000 -1.082) 3.134 11.352 ( -2.803 0.000 -3.168) 4.229 11.712 ( 5.407 0.000 9.556) 10.979 11.892 ( -4.108 0.000 -5.106) 6.554 11.946 ( 7.237 0.000 2.213) 7.568 12.021 ( -16.830 0.000 -4.190) 17.343 12.437 ( 3.463 0.000 1.570) 3.802 12.495 ( -0.689 0.000 -2.681) 2.768 12.532 ( 1.511 0.000 3.481) 3.795 12.601 ( -1.268 0.000 -2.003) 2.370 12.709 ( -2.492 0.000 0.649) 2.575 12.744 ( 3.442 0.000 -2.381) 4.185 13.230 ( 8.708 0.000 2.906) 9.180 13.314 ( 13.129 0.000 5.984) 14.428 13.320 ( 2.205 0.000 -4.673) 5.167 13.423 ( -9.884 0.000 -2.757) 10.261 13.874 ( -1.656 0.000 1.884) 2.508 13.923 ( 2.986 0.000 -2.125) 3.666 13.988 ( -3.840 0.000 1.746) 4.218 14.030 ( 2.921 0.000 -1.608) 3.334 15.000 ( -0.227 0.000 1.768) 1.783 15.041 ( 0.659 0.000 -1.609) 1.738 15.730 ( 11.869 0.000 1.927) 12.024 15.798 ( -7.603 0.000 -4.108) 8.642 16.134 ( 7.649 0.000 6.596) 10.100 16.274 ( -23.500 0.000 -5.522) 24.140 16.497 ( -13.758 0.000 2.545) 13.991 16.540 ( 6.267 0.000 -1.218) 6.385 17.604 ( 1.240 0.000 3.542) 3.753 17.697 ( -1.343 0.000 -4.030) 4.248 21.259 ( 2.690 0.000 6.075) 6.644 21.416 ( 0.131 0.000 -7.158) 7.159 21.677 ( 9.563 0.000 3.963) 10.352 21.746 ( -3.059 0.000 -2.104) 3.713 22.566 ( 4.713 0.000 2.633) 5.399 22.634 ( -5.856 0.000 -2.860) 6.517 23.056 ( -7.677 0.000 2.552) 8.090 23.134 ( 13.486 0.000 -4.097) 14.095 23.529 ( -12.893 0.000 4.981) 13.822 23.645 ( 15.508 0.000 -5.075) 16.317 23.833 ( -19.414 0.000 2.588) 19.586 23.871 ( 25.518 0.000 -0.896) 25.533 25.264 ( 6.991 0.000 1.836) 7.228 25.312 ( -3.243 0.000 -2.078) 3.852 26.166 ( 2.661 0.000 2.018) 3.339 26.219 ( -5.191 0.000 -2.407) 5.722 26.373 ( 11.751 0.000 3.480) 12.256 26.459 ( -23.063 0.000 -3.735) 23.363 26.686 ( 2.812 0.000 0.712) 2.901 26.707 ( -5.502 0.000 -1.111) 5.613 27.059 ( 5.859 0.000 4.476) 7.373 27.153 ( -4.146 0.000 -3.310) 5.305 27.494 ( -6.581 0.000 0.107) 6.582 27.496 ( 17.809 0.000 -0.085) 17.809 28.141 ( -0.627 0.000 0.179) 0.652 28.146 ( 0.638 0.000 -0.198) 0.668 ======================= Grid point 78 (26/64) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 0.643 0.000 -7.461) 7.489 0.856 ( -5.444 0.000 25.839) 26.406 1.161 ( 17.913 0.000 4.370) 18.438 1.250 ( 11.559 0.000 0.108) 11.560 1.807 ( 13.082 0.000 10.099) 16.526 2.121 ( 11.986 0.000 13.715) 18.215 2.183 ( 3.908 0.000 -22.147) 22.489 2.347 ( 8.361 0.000 1.657) 8.523 2.435 ( 4.741 0.000 -12.291) 13.174 2.709 ( 6.734 0.000 4.495) 8.096 2.778 ( 1.535 0.000 0.183) 1.546 2.850 ( 3.751 0.000 -2.301) 4.401 2.896 ( -0.738 0.000 -6.343) 6.386 3.017 ( 1.891 0.000 -3.063) 3.599 3.050 ( 1.979 0.000 4.278) 4.714 3.161 ( 8.846 0.000 -2.355) 9.154 3.336 ( 9.173 0.000 -2.128) 9.417 3.367 ( 2.766 0.000 4.777) 5.520 3.443 ( 3.333 0.000 5.482) 6.415 3.444 ( 8.360 0.000 8.633) 12.018 3.529 ( -0.871 0.000 5.560) 5.628 3.552 ( 4.758 0.000 1.182) 4.902 3.680 ( -3.926 0.000 -12.088) 12.710 3.726 ( 3.254 0.000 4.292) 5.386 3.997 ( -3.731 0.000 -4.721) 6.017 4.013 ( 2.648 0.000 0.131) 2.651 4.086 ( 8.404 0.000 -4.625) 9.593 4.152 ( 2.188 0.000 -6.165) 6.542 4.198 ( -10.213 0.000 1.015) 10.263 4.288 ( -1.810 0.000 0.794) 1.977 4.301 ( -1.601 0.000 -0.199) 1.613 4.359 ( -6.635 0.000 1.379) 6.777 4.438 ( -0.688 0.000 -0.197) 0.715 4.616 ( 9.854 0.000 -1.779) 10.013 4.624 ( 0.637 0.000 -2.866) 2.936 4.684 ( 2.030 0.000 1.789) 2.706 4.814 ( -0.029 0.000 0.677) 0.677 4.907 ( -4.947 0.000 8.150) 9.534 4.986 ( 6.322 0.000 -6.126) 8.804 5.022 ( 2.265 0.000 -0.699) 2.370 5.213 ( -3.013 0.000 5.203) 6.013 5.374 ( -6.427 0.000 5.648) 8.556 5.412 ( 8.252 0.000 -4.981) 9.639 5.521 ( 1.034 0.000 -0.078) 1.037 5.582 ( -0.117 0.000 6.699) 6.700 5.759 ( -0.677 0.000 0.435) 0.804 5.843 ( -0.223 0.000 -1.513) 1.529 5.972 ( -5.179 0.000 -11.174) 12.316 6.092 ( 0.933 0.000 2.909) 3.055 6.114 ( -3.000 0.000 -0.152) 3.004 6.268 ( 2.833 0.000 9.923) 10.319 6.317 ( -0.851 0.000 -7.195) 7.245 6.534 ( 0.512 0.000 5.818) 5.840 6.604 ( 2.319 0.000 -1.369) 2.693 6.728 ( 1.846 0.000 -3.137) 3.640 6.760 ( 14.387 0.000 -7.344) 16.153 7.040 ( 0.153 0.000 -0.544) 0.565 7.083 ( 5.924 0.000 -0.875) 5.989 7.259 ( 1.811 0.000 1.235) 2.192 7.447 ( -6.655 0.000 1.681) 6.864 7.475 ( 1.467 0.000 -1.822) 2.339 7.655 ( 3.726 0.000 6.751) 7.711 7.849 ( -2.411 0.000 -2.057) 3.169 7.897 ( 0.483 0.000 12.114) 12.124 7.988 ( -6.511 0.000 2.453) 6.957 8.058 ( -0.529 0.000 -1.911) 1.983 8.062 ( -2.463 0.000 -3.944) 4.650 8.234 ( -0.016 0.000 -1.669) 1.669 8.487 ( -5.570 0.000 5.763) 8.015 8.595 ( -7.130 0.000 1.946) 7.391 8.735 ( -2.866 0.000 -7.357) 7.896 8.815 ( -0.736 0.000 -3.732) 3.804 8.929 ( -5.604 0.000 0.849) 5.668 9.094 ( -3.013 0.000 3.630) 4.717 9.146 ( -2.250 0.000 1.898) 2.943 9.280 ( -1.689 0.000 -2.567) 3.073 9.385 ( -5.651 0.000 0.120) 5.652 9.507 ( -2.127 0.000 -0.962) 2.334 9.993 ( -0.874 0.000 -4.580) 4.662 10.035 ( 5.015 0.000 3.216) 5.958 10.288 ( 4.684 0.000 -1.803) 5.019 10.321 ( 2.130 0.000 -4.176) 4.688 10.639 ( -3.123 0.000 3.228) 4.492 10.714 ( -11.901 0.000 0.376) 11.907 10.843 ( -0.112 0.000 -7.133) 7.133 10.890 ( -0.240 0.000 0.392) 0.459 11.162 ( -0.006 0.000 4.619) 4.619 11.167 ( -0.563 0.000 -2.745) 2.802 11.271 ( -4.846 0.000 5.479) 7.315 11.400 ( 4.717 0.000 -0.462) 4.739 11.522 ( -17.805 0.000 0.737) 17.820 11.769 ( -2.079 0.000 7.203) 7.497 11.861 ( -4.570 0.000 -1.713) 4.881 12.125 ( 3.698 0.000 4.114) 5.532 12.408 ( -8.326 0.000 -3.933) 9.208 12.429 ( -4.050 0.000 -2.518) 4.769 12.468 ( -0.387 0.000 -1.175) 1.238 12.515 ( -1.007 0.000 2.808) 2.983 12.534 ( -11.660 0.000 -0.708) 11.681 12.820 ( 3.457 0.000 -2.080) 4.035 13.056 ( -2.801 0.000 11.968) 12.292 13.251 ( -4.243 0.000 -5.521) 6.963 13.310 ( 3.743 0.000 -10.107) 10.778 13.571 ( 9.458 0.000 5.151) 10.770 13.770 ( -7.220 0.000 2.244) 7.560 13.852 ( -9.787 0.000 1.413) 9.888 13.884 ( -6.097 0.000 -2.744) 6.686 14.035 ( -2.331 0.000 -0.542) 2.393 15.035 ( 2.428 0.000 0.740) 2.539 15.101 ( 5.000 0.000 -1.475) 5.213 15.742 ( -0.279 0.000 0.006) 0.279 15.992 ( -4.162 0.000 -0.557) 4.199 16.222 ( 0.761 0.000 7.073) 7.114 16.333 ( 10.231 0.000 -12.455) 16.118 17.070 ( 57.234 0.000 -22.838) 61.622 17.306 ( 53.137 0.000 19.566) 56.625 17.630 ( -2.999 0.000 -1.795) 3.495 17.654 ( 2.577 0.000 1.269) 2.872 21.129 ( -34.827 0.000 -11.243) 36.596 21.212 ( -30.894 0.000 6.629) 31.597 21.402 ( -4.602 0.000 -6.120) 7.657 21.403 ( -0.669 0.000 7.111) 7.142 22.576 ( -0.278 0.000 -1.778) 1.800 22.664 ( 0.551 0.000 0.417) 0.691 23.046 ( 1.709 0.000 3.514) 3.908 23.165 ( -20.304 0.000 2.290) 20.433 23.349 ( 4.619 0.000 -1.870) 4.984 23.458 ( -14.373 0.000 -3.951) 14.907 23.907 ( 9.926 0.000 -3.327) 10.469 24.363 ( 16.577 0.000 -6.535) 17.818 25.240 ( -3.701 0.000 -6.509) 7.487 25.350 ( -1.316 0.000 5.360) 5.519 25.865 ( -22.373 0.000 5.809) 23.115 25.946 ( -16.941 0.000 1.747) 17.030 26.144 ( -4.119 0.000 3.181) 5.204 26.406 ( -6.666 0.000 1.448) 6.822 26.681 ( 2.132 0.000 -0.428) 2.174 26.786 ( 5.207 0.000 2.907) 5.963 27.093 ( 0.140 0.000 -6.317) 6.318 27.165 ( 3.085 0.000 4.979) 5.857 27.578 ( 10.978 0.000 0.729) 11.003 27.882 ( 11.744 0.000 -8.706) 14.619 28.148 ( 1.195 0.000 -0.303) 1.232 28.168 ( 1.281 0.000 0.035) 1.282 ======================= Grid point 79 (27/64) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 19.032 0.000 11.429) 22.200 1.295 ( 37.570 0.000 7.170) 38.248 1.548 ( 18.871 0.000 -7.816) 20.425 1.689 ( 25.328 0.000 8.890) 26.843 1.868 ( 3.387 0.000 -8.226) 8.896 2.177 ( 5.396 0.000 -13.125) 14.191 2.193 ( 4.661 0.000 -0.563) 4.695 2.482 ( 1.355 0.000 -5.036) 5.216 2.775 ( -3.069 0.000 1.573) 3.449 2.790 ( 3.009 0.000 -0.468) 3.046 2.847 ( 0.477 0.000 2.458) 2.503 2.918 ( 3.762 0.000 -2.379) 4.451 3.087 ( 0.101 0.000 2.946) 2.948 3.089 ( 10.277 0.000 -4.139) 11.079 3.105 ( 32.919 0.000 14.084) 35.805 3.342 ( 5.804 0.000 -0.928) 5.878 3.359 ( -3.465 0.000 -3.040) 4.610 3.371 ( -6.391 0.000 9.664) 11.586 3.444 ( -2.388 0.000 7.106) 7.497 3.485 ( -1.096 0.000 -3.848) 4.001 3.699 ( 7.015 0.000 3.376) 7.785 3.745 ( 14.989 0.000 -5.773) 16.062 3.765 ( 8.000 0.000 2.880) 8.503 3.796 ( 2.708 0.000 0.877) 2.846 3.906 ( 2.801 0.000 -5.128) 5.843 3.978 ( -8.690 0.000 2.420) 9.021 4.142 ( 5.597 0.000 -3.409) 6.553 4.160 ( 0.317 0.000 -1.231) 1.271 4.231 ( 2.373 0.000 -5.755) 6.225 4.258 ( 1.819 0.000 7.575) 7.790 4.293 ( 0.900 0.000 -2.028) 2.219 4.315 ( 4.164 0.000 -2.850) 5.046 4.478 ( 4.076 0.000 -2.073) 4.573 4.653 ( 3.960 0.000 -5.762) 6.991 4.668 ( -3.357 0.000 1.879) 3.847 4.775 ( 2.606 0.000 -2.062) 3.323 4.800 ( -8.135 0.000 12.665) 15.053 4.880 ( 8.367 0.000 -1.005) 8.427 4.955 ( -7.147 0.000 -1.629) 7.330 5.086 ( 4.754 0.000 -3.172) 5.715 5.172 ( -2.419 0.000 4.428) 5.045 5.303 ( -1.679 0.000 -0.331) 1.712 5.483 ( 2.018 0.000 0.309) 2.042 5.550 ( 1.050 0.000 1.591) 1.906 5.656 ( 2.727 0.000 1.590) 3.156 5.685 ( -8.767 0.000 -9.805) 13.153 5.796 ( -1.743 0.000 -1.641) 2.393 5.837 ( -0.543 0.000 -0.421) 0.687 6.067 ( -2.627 0.000 -2.105) 3.366 6.095 ( -0.719 0.000 7.353) 7.388 6.291 ( -0.967 0.000 -2.985) 3.137 6.364 ( 2.604 0.000 3.401) 4.284 6.475 ( -6.443 0.000 5.276) 8.327 6.568 ( -9.415 0.000 -7.017) 11.742 6.664 ( 1.901 0.000 -2.468) 3.115 6.936 ( 3.493 0.000 1.571) 3.830 7.106 ( 4.586 0.000 -4.340) 6.314 7.210 ( 2.908 0.000 -4.316) 5.204 7.278 ( -3.187 0.000 3.555) 4.775 7.368 ( -0.216 0.000 1.285) 1.303 7.474 ( -1.047 0.000 3.543) 3.694 7.723 ( -11.456 0.000 -5.398) 12.664 7.728 ( 0.866 0.000 4.013) 4.105 7.785 ( -10.605 0.000 4.072) 11.360 7.847 ( -0.068 0.000 -4.076) 4.076 8.105 ( 2.293 0.000 0.663) 2.387 8.108 ( -2.276 0.000 14.277) 14.457 8.233 ( 3.124 0.000 -2.207) 3.825 8.367 ( -13.459 0.000 0.441) 13.466 8.402 ( -3.710 0.000 -2.528) 4.489 8.688 ( 1.290 0.000 0.557) 1.405 8.772 ( -5.599 0.000 5.481) 7.835 8.870 ( -1.137 0.000 -0.397) 1.204 9.047 ( -4.980 0.000 -4.750) 6.882 9.049 ( -1.058 0.000 1.012) 1.464 9.220 ( -2.049 0.000 -2.719) 3.405 9.312 ( -2.455 0.000 1.519) 2.887 9.470 ( -0.717 0.000 -2.162) 2.278 9.956 ( -1.430 0.000 -4.405) 4.631 10.123 ( 1.706 0.000 5.130) 5.406 10.293 ( -2.782 0.000 -5.303) 5.989 10.304 ( -6.832 0.000 1.428) 6.980 10.524 ( -0.554 0.000 -2.141) 2.212 10.571 ( -4.081 0.000 1.421) 4.321 10.784 ( -2.439 0.000 -8.772) 9.104 10.875 ( -2.530 0.000 2.148) 3.318 11.152 ( -0.754 0.000 -2.554) 2.663 11.165 ( -8.056 0.000 7.634) 11.098 11.202 ( 2.615 0.000 5.501) 6.091 11.337 ( -1.369 0.000 -0.135) 1.375 11.460 ( 0.679 0.000 -1.931) 2.047 11.730 ( -2.484 0.000 3.474) 4.271 11.761 ( -4.935 0.000 1.562) 5.176 12.041 ( -4.466 0.000 -7.315) 8.571 12.328 ( -1.336 0.000 4.313) 4.515 12.370 ( -2.777 0.000 -5.027) 5.743 12.440 ( -1.268 0.000 -3.534) 3.754 12.448 ( 0.654 0.000 1.811) 1.925 12.544 ( 2.693 0.000 0.843) 2.821 12.862 ( 3.010 0.000 -1.929) 3.575 13.160 ( 5.952 0.000 7.961) 9.940 13.207 ( -1.171 0.000 -3.401) 3.597 13.392 ( 5.208 0.000 -6.044) 7.979 13.641 ( -4.599 0.000 1.958) 4.999 13.641 ( -4.832 0.000 2.592) 5.483 13.646 ( -9.712 0.000 1.852) 9.887 13.808 ( 1.527 0.000 -1.056) 1.857 13.947 ( -5.392 0.000 -0.553) 5.420 15.093 ( 2.871 0.000 0.717) 2.959 15.191 ( 3.652 0.000 -1.373) 3.901 15.726 ( -1.553 0.000 0.059) 1.554 15.898 ( -5.189 0.000 0.714) 5.238 16.302 ( 4.764 0.000 7.328) 8.741 16.441 ( 6.302 0.000 -8.009) 10.191 17.537 ( -3.688 0.000 1.348) 3.927 17.620 ( -0.879 0.000 -0.149) 0.891 18.034 ( 40.351 0.000 -25.137) 47.540 18.382 ( 36.415 0.000 29.682) 46.980 20.389 ( -27.283 0.000 -12.439) 29.985 20.581 ( -29.971 0.000 5.451) 30.463 21.368 ( 1.816 0.000 -8.877) 9.061 21.472 ( 1.664 0.000 7.451) 7.635 22.578 ( 0.507 0.000 1.230) 1.330 22.622 ( -5.280 0.000 -3.078) 6.111 22.756 ( -20.178 0.000 2.677) 20.355 22.866 ( -15.790 0.000 0.929) 15.818 23.331 ( -0.541 0.000 -2.826) 2.877 23.357 ( -2.491 0.000 0.465) 2.534 24.034 ( 4.410 0.000 -3.852) 5.856 24.525 ( 2.378 0.000 -0.529) 2.437 25.058 ( -10.662 0.000 -9.591) 14.341 25.185 ( -15.996 0.000 13.322) 20.817 25.676 ( 0.740 0.000 -7.340) 7.377 25.738 ( -4.006 0.000 6.263) 7.434 26.059 ( -4.874 0.000 1.841) 5.210 26.253 ( -7.329 0.000 -0.687) 7.361 26.750 ( 3.888 0.000 1.039) 4.024 26.875 ( 2.230 0.000 2.759) 3.548 27.079 ( 0.478 0.000 -7.179) 7.195 27.208 ( -0.657 0.000 3.995) 4.048 27.786 ( 7.468 0.000 3.050) 8.067 27.990 ( 3.584 0.000 -4.070) 5.423 28.163 ( -0.151 0.000 -0.048) 0.159 28.187 ( 0.386 0.000 -0.026) 0.386 ======================= Grid point 80 (28/64) ======================= q-point: ( 0.30 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 25.693 0.000 0.623) 25.701 1.916 ( 20.806 0.000 -12.467) 24.255 1.974 ( 18.516 0.000 6.408) 19.593 2.057 ( 16.825 0.000 -0.648) 16.838 2.140 ( 24.028 0.000 -6.950) 25.013 2.334 ( 8.984 0.000 -2.855) 9.426 2.445 ( 4.875 0.000 -0.503) 4.900 2.491 ( 15.095 0.000 4.894) 15.869 2.695 ( -5.194 0.000 7.111) 8.806 2.825 ( 0.525 0.000 -0.488) 0.717 2.917 ( 6.343 0.000 -0.135) 6.345 2.958 ( 1.461 0.000 -6.606) 6.765 3.073 ( -1.628 0.000 1.400) 2.147 3.219 ( -5.035 0.000 0.013) 5.035 3.236 ( -2.033 0.000 -10.130) 10.332 3.300 ( -3.701 0.000 13.384) 13.886 3.359 ( -3.061 0.000 5.095) 5.944 3.363 ( 7.360 0.000 -1.842) 7.587 3.540 ( -3.359 0.000 -4.532) 5.641 3.604 ( 5.786 0.000 7.423) 9.412 3.767 ( 0.475 0.000 2.007) 2.062 3.794 ( 7.283 0.000 7.721) 10.614 3.871 ( -0.345 0.000 -0.473) 0.586 3.913 ( -1.156 0.000 -0.356) 1.210 3.979 ( 7.578 0.000 -0.053) 7.578 4.139 ( 5.002 0.000 -2.477) 5.581 4.167 ( 10.975 0.000 4.242) 11.766 4.226 ( 2.617 0.000 -0.197) 2.624 4.260 ( 6.021 0.000 -10.680) 12.260 4.293 ( 0.969 0.000 5.964) 6.043 4.349 ( 5.274 0.000 -0.183) 5.277 4.488 ( -4.517 0.000 -1.520) 4.766 4.495 ( 8.152 0.000 4.470) 9.297 4.611 ( -0.193 0.000 -1.940) 1.950 4.673 ( 1.050 0.000 -0.959) 1.422 4.790 ( 4.135 0.000 1.140) 4.289 4.798 ( 1.681 0.000 -0.570) 1.775 4.837 ( -1.427 0.000 -3.926) 4.178 5.042 ( 5.904 0.000 -1.818) 6.178 5.148 ( -1.743 0.000 3.615) 4.013 5.164 ( 4.620 0.000 -1.472) 4.849 5.261 ( -2.205 0.000 0.171) 2.211 5.416 ( -10.927 0.000 -8.758) 14.004 5.521 ( 0.771 0.000 -1.165) 1.396 5.571 ( -0.234 0.000 2.519) 2.529 5.657 ( -3.109 0.000 2.150) 3.780 5.776 ( -6.080 0.000 -2.998) 6.780 5.867 ( 5.921 0.000 -0.338) 5.930 6.010 ( -1.522 0.000 -1.984) 2.501 6.063 ( -7.187 0.000 7.222) 10.188 6.232 ( -11.060 0.000 -9.754) 14.747 6.272 ( 0.827 0.000 4.513) 4.588 6.380 ( -3.123 0.000 -0.586) 3.178 6.453 ( -0.467 0.000 1.877) 1.934 6.744 ( 5.105 0.000 -2.358) 5.623 6.982 ( -0.181 0.000 7.563) 7.565 7.104 ( -4.434 0.000 0.173) 4.437 7.195 ( -5.278 0.000 5.486) 7.613 7.240 ( 3.681 0.000 -8.327) 9.104 7.342 ( -4.956 0.000 0.355) 4.969 7.408 ( -5.745 0.000 4.821) 7.500 7.491 ( -5.998 0.000 -2.094) 6.353 7.577 ( -9.909 0.000 -2.736) 10.280 7.732 ( -1.433 0.000 2.173) 2.603 7.898 ( 1.648 0.000 1.824) 2.459 8.051 ( -5.195 0.000 -6.017) 7.949 8.066 ( -3.942 0.000 11.690) 12.336 8.209 ( -1.105 0.000 1.561) 1.912 8.278 ( 1.518 0.000 -6.148) 6.333 8.306 ( -3.516 0.000 -9.908) 10.513 8.631 ( -9.272 0.000 8.373) 12.493 8.726 ( -0.865 0.000 -2.984) 3.107 8.809 ( -3.135 0.000 4.550) 5.525 9.056 ( 5.776 0.000 2.319) 6.224 9.068 ( 2.179 0.000 0.148) 2.184 9.194 ( 0.753 0.000 -4.605) 4.666 9.270 ( -2.920 0.000 1.845) 3.454 9.462 ( 0.862 0.000 -3.612) 3.713 9.862 ( -6.764 0.000 -0.113) 6.765 10.138 ( -3.069 0.000 4.431) 5.391 10.170 ( -4.988 0.000 -10.445) 11.575 10.182 ( -3.844 0.000 6.781) 7.795 10.515 ( -2.131 0.000 4.505) 4.984 10.587 ( 4.945 0.000 -4.627) 6.772 10.698 ( -2.166 0.000 -9.943) 10.176 10.792 ( -6.700 0.000 7.039) 9.718 11.047 ( -4.759 0.000 2.129) 5.214 11.104 ( -2.441 0.000 -4.283) 4.929 11.283 ( 2.292 0.000 0.692) 2.394 11.382 ( 4.507 0.000 5.058) 6.775 11.426 ( -3.223 0.000 1.780) 3.682 11.688 ( -2.890 0.000 4.272) 5.157 11.712 ( 1.377 0.000 -4.480) 4.687 11.955 ( -2.563 0.000 -3.876) 4.647 12.320 ( -3.155 0.000 -3.028) 4.373 12.372 ( -3.330 0.000 1.747) 3.761 12.407 ( 0.840 0.000 -6.062) 6.120 12.420 ( 3.616 0.000 9.261) 9.942 12.639 ( 6.906 0.000 -1.184) 7.007 12.882 ( -4.167 0.000 -7.266) 8.376 13.117 ( -3.622 0.000 2.625) 4.473 13.277 ( 2.340 0.000 3.845) 4.501 13.458 ( -1.419 0.000 1.317) 1.936 13.481 ( -0.946 0.000 -4.984) 5.073 13.576 ( -0.875 0.000 4.394) 4.480 13.666 ( 3.267 0.000 3.786) 5.000 13.755 ( -6.423 0.000 -3.341) 7.240 13.883 ( -0.812 0.000 -1.118) 1.382 15.155 ( 2.918 0.000 0.937) 3.065 15.228 ( 0.485 0.000 -1.144) 1.242 15.683 ( -2.209 0.000 -1.410) 2.620 15.792 ( -5.490 0.000 1.831) 5.787 16.449 ( 6.456 0.000 6.524) 9.178 16.554 ( 7.434 0.000 -6.520) 9.888 17.483 ( -2.836 0.000 4.854) 5.622 17.527 ( -6.016 0.000 -4.657) 7.608 18.666 ( 29.106 0.000 -15.061) 32.772 18.957 ( 12.728 0.000 18.422) 22.391 19.979 ( -11.298 0.000 -3.177) 11.736 20.071 ( -21.051 0.000 0.945) 21.072 21.400 ( 4.135 0.000 -7.719) 8.757 21.510 ( 0.083 0.000 6.928) 6.928 22.296 ( -21.897 0.000 -1.818) 21.973 22.373 ( -17.453 0.000 2.285) 17.602 22.624 ( 2.755 0.000 3.225) 4.242 22.739 ( 2.119 0.000 -5.060) 5.486 23.271 ( -4.797 0.000 -2.297) 5.318 23.273 ( -6.036 0.000 1.612) 6.248 24.086 ( 2.320 0.000 -2.153) 3.165 24.496 ( -4.544 0.000 0.351) 4.558 24.823 ( -8.309 0.000 -6.229) 10.385 24.921 ( -12.638 0.000 8.592) 15.282 25.707 ( 3.386 0.000 -5.582) 6.529 25.750 ( 1.218 0.000 5.124) 5.267 25.967 ( -4.431 0.000 1.242) 4.602 26.118 ( -5.672 0.000 -0.840) 5.733 26.830 ( 3.250 0.000 1.810) 3.720 26.907 ( 0.978 0.000 0.094) 0.982 27.058 ( -0.399 0.000 -4.276) 4.294 27.174 ( -3.385 0.000 2.390) 4.144 27.903 ( 3.440 0.000 2.628) 4.329 28.034 ( 2.071 0.000 -2.572) 3.302 28.141 ( -1.795 0.000 0.519) 1.868 28.178 ( -1.183 0.000 -0.205) 1.201 ======================= Grid point 82 (29/64) ======================= q-point: ( 0.40 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 20.570 0.000 -1.361) 20.615 2.219 ( 6.073 0.000 2.350) 6.512 2.279 ( 14.767 0.000 -8.298) 16.939 2.411 ( 14.407 0.000 0.332) 14.411 2.455 ( 3.369 0.000 1.438) 3.663 2.523 ( 9.860 0.000 1.883) 10.038 2.537 ( 4.320 0.000 3.985) 5.877 2.601 ( 3.349 0.000 -4.223) 5.390 2.805 ( 7.244 0.000 1.835) 7.472 2.816 ( 2.174 0.000 -4.614) 5.100 2.938 ( -1.345 0.000 -3.063) 3.345 3.051 ( -0.882 0.000 0.026) 0.882 3.100 ( 10.041 0.000 -3.650) 10.684 3.131 ( -2.198 0.000 -1.490) 2.655 3.252 ( 5.342 0.000 -5.021) 7.332 3.255 ( -3.991 0.000 12.854) 13.460 3.332 ( 1.007 0.000 -0.877) 1.336 3.380 ( -9.655 0.000 8.218) 12.679 3.433 ( -1.337 0.000 -2.284) 2.647 3.661 ( -5.773 0.000 -0.663) 5.811 3.720 ( -2.744 0.000 6.545) 7.097 3.822 ( -4.952 0.000 0.770) 5.012 3.880 ( 2.536 0.000 0.375) 2.563 4.020 ( 9.123 0.000 2.807) 9.545 4.092 ( -2.025 0.000 -0.762) 2.163 4.115 ( 0.979 0.000 -1.931) 2.164 4.205 ( -0.190 0.000 1.591) 1.603 4.280 ( -0.786 0.000 6.247) 6.296 4.355 ( 0.591 0.000 -1.466) 1.580 4.464 ( 5.134 0.000 -0.332) 5.145 4.482 ( 9.631 0.000 -2.068) 9.850 4.493 ( 7.864 0.000 -3.145) 8.470 4.607 ( 1.140 0.000 -2.659) 2.894 4.655 ( 8.108 0.000 1.614) 8.267 4.686 ( 0.181 0.000 -3.611) 3.616 4.825 ( -0.328 0.000 1.285) 1.327 4.869 ( 5.845 0.000 -4.204) 7.200 4.900 ( 3.423 0.000 -1.908) 3.918 5.051 ( -4.234 0.000 -1.025) 4.356 5.074 ( -6.196 0.000 0.514) 6.217 5.248 ( -0.886 0.000 -1.110) 1.420 5.258 ( 2.811 0.000 3.436) 4.439 5.311 ( 6.492 0.000 -0.200) 6.495 5.471 ( -5.028 0.000 -0.722) 5.079 5.572 ( -5.264 0.000 2.292) 5.741 5.579 ( 1.595 0.000 -1.486) 2.180 5.587 ( -7.060 0.000 -5.515) 8.959 5.860 ( -6.616 0.000 -1.315) 6.745 5.992 ( -0.172 0.000 -2.368) 2.374 6.004 ( 0.552 0.000 1.013) 1.153 6.095 ( -0.691 0.000 0.539) 0.876 6.271 ( -3.905 0.000 8.719) 9.554 6.385 ( 2.260 0.000 3.458) 4.132 6.433 ( -2.195 0.000 1.094) 2.452 6.805 ( 2.139 0.000 -8.201) 8.475 6.828 ( -15.215 0.000 -11.842) 19.281 7.051 ( 0.859 0.000 6.228) 6.287 7.162 ( 0.563 0.000 12.133) 12.146 7.254 ( -4.636 0.000 10.649) 11.614 7.254 ( -2.487 0.000 -5.516) 6.051 7.348 ( -2.486 0.000 8.504) 8.860 7.424 ( 0.816 0.000 -10.279) 10.311 7.474 ( 1.814 0.000 3.007) 3.512 7.694 ( -2.632 0.000 0.073) 2.633 7.840 ( -2.446 0.000 1.555) 2.898 8.038 ( -2.846 0.000 5.777) 6.440 8.043 ( 1.203 0.000 -4.244) 4.411 8.174 ( -5.491 0.000 -2.924) 6.221 8.194 ( -1.392 0.000 1.106) 1.778 8.292 ( 3.654 0.000 -19.630) 19.967 8.496 ( -6.606 0.000 9.255) 11.371 8.646 ( -1.428 0.000 -8.405) 8.525 8.833 ( 0.542 0.000 9.836) 9.851 9.093 ( -0.479 0.000 -3.150) 3.186 9.186 ( 0.202 0.000 3.397) 3.403 9.216 ( 2.569 0.000 6.069) 6.591 9.240 ( 5.631 0.000 -3.808) 6.797 9.479 ( 2.601 0.000 -3.993) 4.765 9.721 ( -7.981 0.000 4.181) 9.010 9.939 ( -9.699 0.000 -13.366) 16.514 10.152 ( 0.761 0.000 1.680) 1.844 10.161 ( -1.395 0.000 5.696) 5.865 10.483 ( -3.790 0.000 4.570) 5.937 10.629 ( 0.841 0.000 -15.597) 15.619 10.678 ( 4.138 0.000 -0.673) 4.192 10.684 ( -6.311 0.000 9.349) 11.280 11.007 ( -0.213 0.000 3.777) 3.783 11.050 ( -0.339 0.000 -5.155) 5.166 11.297 ( 0.661 0.000 -1.459) 1.602 11.355 ( -5.400 0.000 7.386) 9.150 11.507 ( 3.800 0.000 7.541) 8.444 11.688 ( 1.661 0.000 3.361) 3.749 11.751 ( 4.008 0.000 -9.700) 10.496 11.915 ( -0.096 0.000 0.442) 0.453 12.212 ( -5.674 0.000 -0.810) 5.732 12.252 ( -6.517 0.000 -0.443) 6.533 12.419 ( 1.510 0.000 -4.682) 4.919 12.552 ( -4.055 0.000 1.260) 4.247 12.716 ( 1.751 0.000 2.065) 2.708 12.810 ( 9.999 0.000 -2.462) 10.298 13.083 ( -4.845 0.000 7.680) 9.081 13.286 ( -1.654 0.000 -1.139) 2.008 13.406 ( 1.596 0.000 -2.528) 2.990 13.537 ( 3.052 0.000 -3.625) 4.739 13.550 ( -4.647 0.000 -0.481) 4.672 13.655 ( -1.344 0.000 -0.692) 1.512 13.735 ( 1.437 0.000 5.340) 5.530 13.852 ( -1.045 0.000 -2.595) 2.798 15.212 ( 2.086 0.000 0.825) 2.243 15.220 ( -0.482 0.000 0.102) 0.493 15.641 ( -0.772 0.000 -2.102) 2.239 15.696 ( -4.596 0.000 1.969) 5.000 16.582 ( 4.015 0.000 5.106) 6.495 16.684 ( 6.820 0.000 -5.286) 8.629 17.394 ( -4.089 0.000 -4.066) 5.767 17.437 ( -3.947 0.000 4.365) 5.885 19.114 ( 19.192 0.000 -9.260) 21.309 19.120 ( 0.956 0.000 9.681) 9.728 19.742 ( -11.245 0.000 -0.224) 11.248 19.828 ( -5.203 0.000 0.112) 5.204 21.477 ( 6.063 0.000 -6.559) 8.932 21.563 ( 3.297 0.000 7.260) 7.973 21.867 ( -18.144 0.000 -1.908) 18.244 22.066 ( -13.106 0.000 0.433) 13.113 22.725 ( 5.850 0.000 3.535) 6.835 22.824 ( 7.392 0.000 -4.273) 8.538 23.126 ( -9.035 0.000 2.090) 9.273 23.132 ( -7.636 0.000 -2.728) 8.109 24.128 ( 2.390 0.000 0.473) 2.437 24.376 ( -6.159 0.000 -1.270) 6.289 24.695 ( -2.534 0.000 -3.137) 4.033 24.745 ( -7.363 0.000 5.086) 8.948 25.757 ( 2.862 0.000 -3.025) 4.164 25.783 ( 0.346 0.000 2.408) 2.433 25.903 ( -2.104 0.000 1.678) 2.691 26.017 ( -3.859 0.000 -1.158) 4.029 26.888 ( 1.733 0.000 1.686) 2.418 26.928 ( 1.336 0.000 -1.410) 1.943 27.039 ( -0.304 0.000 -1.286) 1.322 27.106 ( -3.583 0.000 1.089) 3.745 27.960 ( 1.611 0.000 2.279) 2.791 28.056 ( 0.927 0.000 -2.413) 2.585 28.106 ( -1.523 0.000 0.936) 1.787 28.146 ( -1.612 0.000 -0.403) 1.661 ======================= Grid point 83 (30/64) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 0.272 0.000 2.104) 2.121 2.319 ( 2.375 0.000 -1.853) 3.013 2.343 ( -15.118 0.000 8.495) 17.341 2.409 ( 2.964 0.000 3.357) 4.479 2.554 ( -2.677 0.000 0.251) 2.689 2.588 ( 2.932 0.000 -2.299) 3.726 2.652 ( 2.286 0.000 -3.113) 3.863 2.688 ( 1.662 0.000 -6.510) 6.718 2.858 ( -1.755 0.000 -0.078) 1.757 2.863 ( -1.508 0.000 -0.961) 1.788 2.951 ( 3.118 0.000 5.011) 5.902 3.065 ( 3.672 0.000 1.469) 3.955 3.075 ( -2.289 0.000 -6.085) 6.501 3.179 ( -5.575 0.000 -2.391) 6.066 3.208 ( -6.384 0.000 6.867) 9.376 3.290 ( 3.228 0.000 5.663) 6.519 3.347 ( 3.768 0.000 4.387) 5.783 3.424 ( 7.357 0.000 -5.442) 9.151 3.514 ( -1.338 0.000 0.413) 1.401 3.536 ( 10.718 0.000 -7.726) 13.213 3.720 ( -1.137 0.000 0.129) 1.144 3.728 ( -4.502 0.000 0.105) 4.503 3.887 ( 2.668 0.000 3.847) 4.682 3.971 ( -5.578 0.000 -1.566) 5.794 4.062 ( -0.242 0.000 -1.928) 1.944 4.100 ( -2.888 0.000 -2.775) 4.005 4.275 ( 0.335 0.000 9.689) 9.695 4.298 ( 0.527 0.000 3.868) 3.904 4.373 ( 2.263 0.000 -3.710) 4.346 4.492 ( 0.736 0.000 -6.324) 6.367 4.584 ( 1.750 0.000 -0.782) 1.917 4.604 ( 2.063 0.000 -4.292) 4.762 4.633 ( -0.054 0.000 -5.115) 5.115 4.650 ( -2.657 0.000 -3.761) 4.605 4.773 ( -7.664 0.000 6.278) 9.907 4.797 ( 1.202 0.000 2.038) 2.366 4.885 ( -4.003 0.000 0.777) 4.078 4.918 ( 5.500 0.000 -1.820) 5.793 5.001 ( -3.890 0.000 -1.455) 4.153 5.030 ( 6.271 0.000 -2.655) 6.810 5.277 ( 2.477 0.000 3.241) 4.079 5.319 ( -1.986 0.000 1.188) 2.314 5.405 ( 2.278 0.000 2.881) 3.673 5.429 ( 0.676 0.000 6.097) 6.135 5.466 ( -3.958 0.000 -1.578) 4.261 5.606 ( 10.604 0.000 4.140) 11.384 5.638 ( 3.722 0.000 -8.985) 9.725 5.727 ( -5.597 0.000 -4.971) 7.486 5.935 ( -5.894 0.000 1.066) 5.989 5.988 ( 1.380 0.000 -2.663) 2.999 6.152 ( 4.729 0.000 6.368) 7.932 6.230 ( -4.194 0.000 6.494) 7.730 6.384 ( -2.388 0.000 -0.240) 2.400 6.439 ( 1.913 0.000 0.319) 1.939 6.529 ( -6.152 0.000 -4.123) 7.406 6.777 ( -0.616 0.000 -11.717) 11.733 7.073 ( 0.752 0.000 4.270) 4.336 7.153 ( -3.428 0.000 -2.883) 4.479 7.192 ( -5.414 0.000 13.578) 14.618 7.323 ( 7.257 0.000 11.096) 13.258 7.361 ( 0.770 0.000 4.933) 4.992 7.477 ( 4.408 0.000 -7.821) 8.978 7.542 ( 3.340 0.000 5.596) 6.517 7.629 ( -2.852 0.000 -4.741) 5.533 7.886 ( 5.482 0.000 1.411) 5.661 7.941 ( -5.872 0.000 -2.845) 6.525 8.001 ( -3.249 0.000 -0.397) 3.273 8.129 ( 1.268 0.000 -0.511) 1.367 8.168 ( -1.127 0.000 0.324) 1.172 8.262 ( -0.746 0.000 -15.663) 15.681 8.439 ( -2.292 0.000 8.053) 8.373 8.652 ( 4.885 0.000 -9.512) 10.693 8.889 ( 2.239 0.000 7.776) 8.091 9.047 ( -1.773 0.000 -5.296) 5.585 9.160 ( -1.584 0.000 7.755) 7.915 9.316 ( 2.123 0.000 -5.179) 5.597 9.383 ( 7.027 0.000 8.279) 10.859 9.550 ( 2.687 0.000 -1.720) 3.190 9.562 ( -7.656 0.000 3.532) 8.432 9.717 ( -4.118 0.000 -14.155) 14.742 10.147 ( -1.731 0.000 3.424) 3.837 10.201 ( 3.825 0.000 -0.311) 3.838 10.400 ( -4.844 0.000 4.062) 6.321 10.607 ( 2.211 0.000 -11.299) 11.513 10.619 ( -3.191 0.000 9.109) 9.651 10.764 ( 4.970 0.000 -5.020) 7.064 11.014 ( -1.272 0.000 2.120) 2.472 11.069 ( 3.182 0.000 -3.575) 4.785 11.264 ( -5.533 0.000 7.429) 9.263 11.358 ( 5.696 0.000 -0.102) 5.697 11.555 ( -2.074 0.000 10.432) 10.636 11.760 ( 2.798 0.000 3.787) 4.708 11.780 ( 1.583 0.000 -4.509) 4.779 11.923 ( -1.129 0.000 -9.830) 9.895 12.125 ( -3.763 0.000 1.402) 4.016 12.131 ( -0.747 0.000 0.557) 0.932 12.377 ( -5.965 0.000 -1.220) 6.089 12.436 ( 2.131 0.000 -3.602) 4.185 12.923 ( 6.663 0.000 5.780) 8.821 12.965 ( 2.598 0.000 -0.856) 2.735 12.984 ( -2.776 0.000 8.539) 8.979 13.223 ( 0.351 0.000 -9.047) 9.054 13.464 ( 2.796 0.000 -0.040) 2.796 13.476 ( -2.396 0.000 0.287) 2.413 13.575 ( 2.405 0.000 -1.918) 3.076 13.582 ( -5.517 0.000 -2.895) 6.230 13.763 ( -0.261 0.000 4.867) 4.874 13.844 ( 0.783 0.000 -2.297) 2.427 15.224 ( 0.644 0.000 0.950) 1.148 15.235 ( 0.064 0.000 0.006) 0.064 15.626 ( -2.555 0.000 0.961) 2.730 15.652 ( 2.421 0.000 -1.189) 2.697 16.632 ( -1.146 0.000 4.687) 4.825 16.752 ( 0.975 0.000 -4.990) 5.084 17.354 ( -4.450 0.000 1.551) 4.712 17.381 ( 3.880 0.000 -0.686) 3.940 19.124 ( -4.029 0.000 8.158) 9.099 19.329 ( 3.860 0.000 -8.514) 9.348 19.657 ( 3.603 0.000 2.922) 4.639 19.730 ( -3.217 0.000 -3.033) 4.422 21.543 ( -10.164 0.000 0.963) 10.209 21.612 ( 9.783 0.000 -4.670) 10.840 21.749 ( 9.537 0.000 5.108) 10.818 21.848 ( -7.902 0.000 -2.913) 8.421 22.851 ( -0.045 0.000 5.019) 5.019 22.958 ( -2.761 0.000 0.686) 2.844 22.958 ( -7.285 0.000 -2.065) 7.572 22.990 ( 8.900 0.000 -3.521) 9.571 24.194 ( 3.754 0.000 2.733) 4.643 24.266 ( -3.615 0.000 -3.301) 4.895 24.651 ( -3.306 0.000 2.728) 4.286 24.694 ( 3.049 0.000 -0.988) 3.205 25.775 ( -1.767 0.000 0.529) 1.845 25.796 ( 1.875 0.000 -1.375) 2.325 25.904 ( 1.417 0.000 2.497) 2.871 25.957 ( -1.267 0.000 -1.994) 2.362 26.907 ( -0.567 0.000 1.415) 1.525 26.942 ( 0.213 0.000 -1.458) 1.473 27.050 ( 1.885 0.000 0.212) 1.897 27.052 ( -1.617 0.000 0.072) 1.618 27.989 ( 0.333 0.000 2.488) 2.510 28.049 ( -0.600 0.000 -2.427) 2.500 28.101 ( 0.659 0.000 0.941) 1.149 28.121 ( -0.341 0.000 -0.727) 0.803 ======================= Grid point 84 (31/64) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -19.567 0.000 0.861) 19.586 2.212 ( -10.886 0.000 -2.424) 11.153 2.248 ( -11.458 0.000 0.678) 11.478 2.308 ( -9.513 0.000 8.692) 12.886 2.439 ( -4.935 0.000 -1.833) 5.265 2.501 ( -9.783 0.000 0.806) 9.816 2.626 ( -8.173 0.000 -4.642) 9.400 2.687 ( -12.861 0.000 3.023) 13.211 2.688 ( 0.594 0.000 -1.144) 1.289 2.842 ( 1.295 0.000 -2.766) 3.054 2.977 ( -8.343 0.000 -2.785) 8.796 3.004 ( -0.690 0.000 2.798) 2.882 3.030 ( -4.560 0.000 3.038) 5.479 3.072 ( -3.464 0.000 1.534) 3.788 3.085 ( -2.501 0.000 -0.219) 2.511 3.370 ( 4.441 0.000 1.060) 4.566 3.458 ( 7.715 0.000 4.871) 9.124 3.488 ( -1.602 0.000 -2.240) 2.754 3.522 ( 1.607 0.000 -7.809) 7.973 3.705 ( 7.232 0.000 -4.687) 8.618 3.768 ( 8.705 0.000 5.622) 10.363 3.822 ( 4.158 0.000 0.263) 4.167 3.888 ( -2.892 0.000 -3.340) 4.418 4.008 ( -0.537 0.000 6.403) 6.425 4.028 ( -1.730 0.000 -1.377) 2.211 4.041 ( 0.165 0.000 2.259) 2.265 4.270 ( -2.477 0.000 7.826) 8.209 4.331 ( 1.127 0.000 5.089) 5.212 4.348 ( -6.057 0.000 -9.106) 10.937 4.427 ( -13.646 0.000 2.163) 13.816 4.527 ( 5.991 0.000 -5.820) 8.352 4.542 ( -5.904 0.000 -4.800) 7.609 4.558 ( -4.405 0.000 -0.752) 4.468 4.584 ( -1.416 0.000 0.595) 1.536 4.680 ( -2.890 0.000 0.576) 2.947 4.809 ( 0.451 0.000 3.399) 3.429 4.883 ( -6.264 0.000 -6.243) 8.844 4.927 ( 5.040 0.000 -4.850) 6.995 4.950 ( -4.603 0.000 2.104) 5.061 5.130 ( 5.575 0.000 1.842) 5.871 5.275 ( -0.943 0.000 -2.565) 2.733 5.313 ( -1.652 0.000 2.076) 2.654 5.336 ( -4.199 0.000 -2.199) 4.740 5.463 ( 3.586 0.000 0.468) 3.617 5.509 ( -3.147 0.000 -1.911) 3.682 5.536 ( 3.835 0.000 0.227) 3.842 5.740 ( 4.734 0.000 -10.675) 11.677 5.839 ( 7.969 0.000 1.880) 8.188 5.892 ( 0.150 0.000 4.942) 4.945 6.011 ( 0.106 0.000 -0.175) 0.205 6.123 ( -6.073 0.000 1.068) 6.166 6.345 ( 2.565 0.000 -0.375) 2.592 6.377 ( 9.253 0.000 9.089) 12.970 6.472 ( 3.274 0.000 -3.935) 5.119 6.567 ( 3.834 0.000 9.193) 9.961 6.736 ( 1.647 0.000 -6.546) 6.750 7.097 ( -3.461 0.000 9.281) 9.905 7.116 ( 0.229 0.000 -1.651) 1.667 7.174 ( 2.611 0.000 8.056) 8.468 7.379 ( 0.309 0.000 -3.871) 3.883 7.467 ( 5.713 0.000 0.632) 5.748 7.493 ( -1.062 0.000 -2.785) 2.981 7.551 ( -1.839 0.000 -10.061) 10.228 7.661 ( 4.910 0.000 10.632) 11.711 7.891 ( 2.784 0.000 -1.547) 3.185 7.921 ( -1.434 0.000 2.353) 2.755 8.054 ( 5.517 0.000 5.397) 7.718 8.142 ( -2.167 0.000 -11.177) 11.385 8.185 ( 0.236 0.000 -0.446) 0.505 8.192 ( 5.654 0.000 -4.473) 7.209 8.446 ( -0.000 0.000 8.172) 8.172 8.738 ( 6.405 0.000 -10.172) 12.020 8.979 ( 3.559 0.000 5.759) 6.770 8.994 ( -1.822 0.000 -4.307) 4.677 9.162 ( -1.266 0.000 3.449) 3.674 9.303 ( -0.997 0.000 -4.858) 4.960 9.335 ( -8.443 0.000 8.881) 12.253 9.444 ( -5.112 0.000 -12.590) 13.588 9.678 ( 11.948 0.000 7.859) 14.301 9.772 ( 5.914 0.000 -1.435) 6.086 10.129 ( -0.670 0.000 2.873) 2.950 10.294 ( 5.757 0.000 -4.828) 7.514 10.351 ( -1.317 0.000 6.166) 6.305 10.618 ( -0.038 0.000 6.599) 6.599 10.625 ( 1.669 0.000 -5.925) 6.155 10.837 ( 4.246 0.000 -6.216) 7.528 10.983 ( -1.317 0.000 -0.148) 1.325 11.094 ( 0.521 0.000 -2.362) 2.419 11.259 ( 3.802 0.000 1.726) 4.176 11.451 ( 1.594 0.000 -0.165) 1.602 11.525 ( -3.427 0.000 9.147) 9.768 11.711 ( -8.809 0.000 -5.871) 10.587 11.799 ( -0.189 0.000 8.355) 8.357 11.840 ( 2.204 0.000 -11.369) 11.581 12.155 ( 3.396 0.000 3.357) 4.775 12.219 ( 7.511 0.000 1.739) 7.710 12.311 ( -2.273 0.000 3.482) 4.158 12.508 ( 6.381 0.000 0.626) 6.411 12.824 ( -6.103 0.000 -3.709) 7.142 12.858 ( -8.936 0.000 -4.149) 9.852 13.195 ( 9.057 0.000 8.574) 12.472 13.266 ( 0.388 0.000 -6.739) 6.750 13.440 ( 2.259 0.000 -6.723) 7.093 13.470 ( -3.764 0.000 2.258) 4.389 13.495 ( 0.997 0.000 2.721) 2.897 13.631 ( 2.309 0.000 0.739) 2.424 13.773 ( 0.042 0.000 4.472) 4.472 13.841 ( -0.591 0.000 -3.495) 3.545 15.225 ( -0.852 0.000 0.048) 0.853 15.233 ( -0.341 0.000 -0.565) 0.660 15.615 ( 1.598 0.000 -0.024) 1.598 15.717 ( 3.789 0.000 0.145) 3.792 16.560 ( -7.364 0.000 4.752) 8.764 16.701 ( -3.533 0.000 -4.653) 5.842 17.317 ( 1.067 0.000 1.958) 2.230 17.495 ( 5.792 0.000 -0.653) 5.829 18.951 ( -16.632 0.000 4.207) 17.156 19.303 ( -1.534 0.000 -4.829) 5.066 19.758 ( 8.526 0.000 -1.607) 8.676 19.808 ( 7.644 0.000 1.729) 7.837 21.392 ( -5.219 0.000 0.818) 5.283 21.715 ( -3.446 0.000 -3.724) 5.074 21.870 ( 16.779 0.000 -3.090) 17.061 22.030 ( 15.755 0.000 3.248) 16.086 22.701 ( -9.381 0.000 4.945) 10.605 22.805 ( -5.920 0.000 -3.369) 6.811 23.085 ( 7.995 0.000 1.142) 8.076 23.167 ( 8.309 0.000 -1.431) 8.432 24.200 ( -1.696 0.000 -5.560) 5.813 24.300 ( 5.042 0.000 5.060) 7.144 24.638 ( 1.454 0.000 1.745) 2.271 24.807 ( 8.305 0.000 -0.174) 8.307 25.715 ( -4.181 0.000 0.517) 4.213 25.826 ( 1.474 0.000 -1.213) 1.909 25.960 ( 2.494 0.000 -3.016) 3.913 25.967 ( 3.585 0.000 3.138) 4.765 26.883 ( -1.861 0.000 1.969) 2.710 26.923 ( -1.503 0.000 -1.251) 1.956 27.038 ( 0.044 0.000 -1.015) 1.016 27.112 ( 3.806 0.000 0.550) 3.846 27.990 ( -1.260 0.000 3.039) 3.290 28.024 ( -0.927 0.000 -2.854) 3.000 28.130 ( 1.623 0.000 0.942) 1.877 28.130 ( 1.367 0.000 -0.987) 1.686 ======================= Grid point 85 (32/64) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -24.392 0.000 -1.414) 24.433 1.883 ( -23.578 0.000 12.074) 26.490 1.899 ( -10.283 0.000 -10.382) 14.612 2.053 ( -20.197 0.000 1.134) 20.229 2.079 ( -23.259 0.000 -3.716) 23.554 2.372 ( -1.734 0.000 3.058) 3.516 2.391 ( -6.607 0.000 -6.142) 9.021 2.602 ( -9.306 0.000 0.460) 9.317 2.780 ( 9.157 0.000 8.636) 12.587 2.862 ( -0.982 0.000 1.512) 1.802 2.878 ( 0.989 0.000 -9.818) 9.867 2.883 ( -7.352 0.000 -0.095) 7.352 2.983 ( -2.455 0.000 3.370) 4.170 3.061 ( -0.279 0.000 1.464) 1.491 3.110 ( 4.152 0.000 5.486) 6.880 3.314 ( -13.686 0.000 3.481) 14.121 3.432 ( 1.348 0.000 -1.377) 1.926 3.536 ( -13.458 0.000 2.565) 13.701 3.596 ( 6.512 0.000 -5.007) 8.214 3.697 ( -9.418 0.000 -1.183) 9.492 3.774 ( -0.492 0.000 -2.205) 2.259 3.842 ( 1.522 0.000 3.599) 3.908 3.859 ( -9.313 0.000 9.189) 13.083 3.930 ( -3.277 0.000 -4.524) 5.586 3.938 ( 1.241 0.000 -2.709) 2.980 4.038 ( -3.093 0.000 5.067) 5.937 4.184 ( -8.550 0.000 -4.132) 9.496 4.208 ( -8.895 0.000 1.674) 9.051 4.281 ( 1.630 0.000 -1.445) 2.179 4.334 ( -6.514 0.000 -1.002) 6.590 4.448 ( 5.052 0.000 1.949) 5.415 4.475 ( -3.913 0.000 -5.936) 7.110 4.563 ( -1.662 0.000 2.662) 3.138 4.579 ( -2.870 0.000 0.516) 2.916 4.634 ( -4.230 0.000 0.293) 4.240 4.776 ( -6.036 0.000 -0.261) 6.041 4.777 ( 4.206 0.000 -9.215) 10.130 4.893 ( -0.837 0.000 10.220) 10.254 5.021 ( 8.194 0.000 -13.463) 15.761 5.209 ( -0.197 0.000 2.202) 2.211 5.235 ( -2.242 0.000 -2.150) 3.107 5.281 ( -0.748 0.000 0.804) 1.099 5.326 ( 5.997 0.000 -5.677) 8.258 5.511 ( 0.245 0.000 0.599) 0.647 5.581 ( 0.662 0.000 -0.122) 0.673 5.606 ( 6.968 0.000 5.798) 9.065 5.807 ( 5.907 0.000 -7.507) 9.553 5.861 ( -4.860 0.000 0.971) 4.956 5.939 ( -1.240 0.000 3.844) 4.038 6.055 ( 4.082 0.000 5.266) 6.663 6.097 ( 7.390 0.000 2.084) 7.678 6.345 ( -2.178 0.000 -2.237) 3.122 6.483 ( 1.883 0.000 -6.333) 6.607 6.508 ( 0.969 0.000 -2.834) 2.995 6.660 ( 1.733 0.000 3.539) 3.941 6.897 ( 9.089 0.000 10.808) 14.122 7.061 ( -0.962 0.000 5.979) 6.056 7.125 ( 0.385 0.000 -3.479) 3.500 7.304 ( 5.901 0.000 8.724) 10.532 7.359 ( 0.445 0.000 -7.903) 7.916 7.467 ( 1.813 0.000 -4.347) 4.710 7.507 ( 0.430 0.000 -5.168) 5.186 7.618 ( 9.493 0.000 -0.972) 9.543 7.795 ( 4.890 0.000 8.436) 9.750 7.881 ( -7.804 0.000 1.696) 7.986 7.938 ( 1.945 0.000 1.636) 2.542 8.112 ( 5.870 0.000 -7.660) 9.651 8.156 ( 3.177 0.000 6.321) 7.074 8.238 ( 5.535 0.000 -2.385) 6.027 8.345 ( 9.286 0.000 -6.835) 11.530 8.520 ( 4.543 0.000 11.341) 12.218 8.829 ( 5.351 0.000 -7.051) 8.851 8.936 ( -2.409 0.000 -3.375) 4.147 9.035 ( -0.503 0.000 2.358) 2.411 9.111 ( -1.650 0.000 2.588) 3.069 9.247 ( -2.946 0.000 -8.261) 8.771 9.304 ( 0.586 0.000 9.981) 9.999 9.343 ( -0.492 0.000 -8.200) 8.215 9.829 ( -0.876 0.000 1.513) 1.748 9.941 ( 9.371 0.000 7.911) 12.263 10.162 ( 3.829 0.000 1.681) 4.182 10.384 ( 6.046 0.000 -10.067) 11.743 10.388 ( 1.491 0.000 6.199) 6.376 10.605 ( -1.710 0.000 -1.626) 2.360 10.647 ( 1.120 0.000 2.421) 2.668 10.901 ( 4.126 0.000 -5.841) 7.151 10.986 ( 1.298 0.000 3.312) 3.557 11.139 ( 4.868 0.000 -2.975) 5.705 11.351 ( 4.039 0.000 -2.942) 4.997 11.418 ( -4.275 0.000 3.108) 5.285 11.510 ( -7.429 0.000 -6.282) 9.729 11.523 ( 0.916 0.000 9.305) 9.350 11.845 ( 1.904 0.000 6.752) 7.015 11.864 ( 3.139 0.000 -10.406) 10.870 12.225 ( 0.976 0.000 3.953) 4.072 12.298 ( 1.373 0.000 2.649) 2.984 12.360 ( 5.187 0.000 0.932) 5.270 12.646 ( -8.389 0.000 -8.215) 11.741 12.693 ( 7.055 0.000 8.073) 10.721 12.705 ( -3.414 0.000 -6.291) 7.158 13.161 ( -5.739 0.000 -0.890) 5.808 13.320 ( 1.114 0.000 1.007) 1.502 13.385 ( -2.809 0.000 1.140) 3.031 13.580 ( 4.320 0.000 6.166) 7.529 13.591 ( 10.560 0.000 -7.903) 13.190 13.662 ( 2.532 0.000 1.926) 3.181 13.781 ( -3.809 0.000 -5.114) 6.377 13.806 ( 1.012 0.000 5.197) 5.294 15.200 ( -2.155 0.000 -2.526) 3.320 15.202 ( -1.838 0.000 1.248) 2.222 15.681 ( 4.541 0.000 -1.242) 4.708 15.794 ( 3.320 0.000 1.666) 3.715 16.404 ( -8.862 0.000 5.585) 10.475 16.593 ( -5.033 0.000 -5.275) 7.291 17.411 ( 6.393 0.000 4.243) 7.673 17.569 ( 1.881 0.000 -2.418) 3.063 18.481 ( -29.995 0.000 1.041) 30.013 19.259 ( -1.726 0.000 -3.512) 3.913 19.938 ( 4.946 0.000 -1.301) 5.114 20.072 ( 22.029 0.000 0.771) 22.042 21.311 ( -3.472 0.000 0.179) 3.476 21.656 ( -1.253 0.000 -4.592) 4.760 22.277 ( 22.823 0.000 0.350) 22.826 22.391 ( 18.711 0.000 0.619) 18.721 22.579 ( -3.757 0.000 6.062) 7.132 22.699 ( -3.290 0.000 -3.443) 4.762 23.230 ( 5.565 0.000 1.058) 5.664 23.301 ( 5.152 0.000 -0.943) 5.238 24.142 ( -2.042 0.000 -7.084) 7.372 24.408 ( 2.340 0.000 7.315) 7.680 24.726 ( 6.350 0.000 1.964) 6.647 25.038 ( 14.911 0.000 -0.955) 14.942 25.619 ( -5.402 0.000 1.657) 5.650 25.842 ( 0.713 0.000 -2.438) 2.540 26.031 ( 5.432 0.000 -3.775) 6.615 26.066 ( 4.882 0.000 3.631) 6.085 26.865 ( -0.608 0.000 3.571) 3.622 26.871 ( -3.183 0.000 -1.577) 3.552 27.028 ( -0.932 0.000 -1.938) 2.150 27.196 ( 3.862 0.000 0.521) 3.897 27.959 ( -3.080 0.000 3.719) 4.828 27.988 ( -1.561 0.000 -4.147) 4.431 28.158 ( 1.346 0.000 -0.838) 1.586 28.165 ( 1.246 0.000 0.932) 1.556 ======================= Grid point 86 (33/64) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -24.258 0.000 5.396) 24.851 1.353 ( -33.666 0.000 8.257) 34.664 1.649 ( -18.321 0.000 6.275) 19.366 1.694 ( -10.146 0.000 3.872) 10.860 1.842 ( 7.448 0.000 -22.973) 24.151 2.205 ( -28.770 0.000 -14.038) 32.012 2.306 ( 0.846 0.000 -8.584) 8.625 2.352 ( -5.178 0.000 6.623) 8.407 2.650 ( -9.285 0.000 8.522) 12.603 2.779 ( -3.098 0.000 1.607) 3.490 2.905 ( 1.361 0.000 -1.969) 2.394 2.908 ( -3.571 0.000 -1.687) 3.949 3.023 ( 0.638 0.000 5.303) 5.341 3.053 ( -10.615 0.000 -0.029) 10.615 3.153 ( 5.600 0.000 6.351) 8.467 3.195 ( -12.549 0.000 12.806) 17.929 3.248 ( 6.393 0.000 6.432) 9.069 3.386 ( -5.178 0.000 -2.013) 5.556 3.546 ( -11.208 0.000 3.162) 11.646 3.634 ( -8.558 0.000 -5.812) 10.345 3.659 ( -6.435 0.000 -3.209) 7.191 3.714 ( 2.396 0.000 4.679) 5.257 3.854 ( -16.175 0.000 -6.616) 17.476 3.854 ( -5.344 0.000 -1.132) 5.463 3.927 ( -1.117 0.000 -6.986) 7.075 3.956 ( 5.275 0.000 4.047) 6.648 3.983 ( -4.893 0.000 8.363) 9.689 4.088 ( 0.566 0.000 -2.581) 2.643 4.287 ( -0.315 0.000 0.399) 0.509 4.291 ( -3.789 0.000 0.684) 3.850 4.329 ( -2.753 0.000 -10.260) 10.623 4.482 ( -2.533 0.000 0.844) 2.670 4.492 ( -3.300 0.000 -5.627) 6.523 4.571 ( 0.302 0.000 -5.154) 5.163 4.600 ( -0.417 0.000 5.669) 5.685 4.703 ( 1.791 0.000 2.933) 3.436 4.852 ( -6.862 0.000 3.409) 7.662 4.884 ( 4.765 0.000 2.122) 5.216 5.123 ( 2.542 0.000 -9.529) 9.862 5.126 ( -4.068 0.000 -5.378) 6.743 5.261 ( 2.778 0.000 1.587) 3.200 5.309 ( 4.750 0.000 -0.979) 4.850 5.453 ( 4.325 0.000 4.698) 6.386 5.494 ( -1.469 0.000 0.114) 1.473 5.573 ( -0.419 0.000 0.135) 0.440 5.703 ( 2.956 0.000 -3.804) 4.817 5.787 ( -1.133 0.000 -0.118) 1.139 5.813 ( -4.297 0.000 0.601) 4.339 5.992 ( 7.587 0.000 3.542) 8.373 6.174 ( -2.056 0.000 5.011) 5.417 6.230 ( -5.433 0.000 -3.758) 6.606 6.336 ( 16.149 0.000 5.514) 17.064 6.489 ( -1.512 0.000 -0.357) 1.554 6.593 ( 8.264 0.000 -3.804) 9.097 6.665 ( -0.213 0.000 -2.658) 2.667 6.989 ( -1.718 0.000 4.775) 5.075 7.022 ( -8.906 0.000 -5.967) 10.721 7.112 ( 3.278 0.000 2.287) 3.997 7.339 ( -1.927 0.000 -3.497) 3.993 7.452 ( 5.382 0.000 6.002) 8.061 7.509 ( 3.966 0.000 -8.945) 9.784 7.620 ( 10.364 0.000 3.452) 10.924 7.747 ( -2.391 0.000 3.790) 4.481 7.782 ( 3.446 0.000 1.533) 3.771 7.910 ( 5.534 0.000 -3.705) 6.660 8.013 ( 4.154 0.000 9.627) 10.485 8.195 ( 4.043 0.000 -5.117) 6.521 8.236 ( 3.093 0.000 3.873) 4.957 8.404 ( 10.324 0.000 -2.437) 10.607 8.505 ( 9.897 0.000 -8.874) 13.293 8.694 ( 6.395 0.000 13.687) 15.107 8.863 ( -1.745 0.000 -2.022) 2.670 8.903 ( 1.747 0.000 -3.317) 3.748 9.045 ( 2.320 0.000 2.506) 3.415 9.092 ( -8.347 0.000 -18.229) 20.049 9.140 ( 2.367 0.000 3.569) 4.283 9.346 ( 1.791 0.000 -2.156) 2.803 9.363 ( 2.073 0.000 6.241) 6.577 9.771 ( -5.052 0.000 7.761) 9.260 10.079 ( 2.470 0.000 5.842) 6.343 10.261 ( 2.707 0.000 -1.499) 3.095 10.357 ( -4.680 0.000 -1.654) 4.963 10.525 ( 9.761 0.000 -4.879) 10.913 10.603 ( 3.290 0.000 -0.071) 3.290 10.692 ( 2.583 0.000 1.545) 3.009 10.941 ( 1.416 0.000 -4.483) 4.701 11.041 ( 1.544 0.000 5.657) 5.864 11.245 ( 4.625 0.000 0.981) 4.728 11.346 ( -3.830 0.000 8.552) 9.370 11.365 ( -0.715 0.000 -7.216) 7.252 11.402 ( -0.011 0.000 -5.663) 5.663 11.648 ( 7.562 0.000 9.630) 12.245 11.868 ( 0.627 0.000 -7.632) 7.658 11.907 ( 1.935 0.000 3.676) 4.154 12.297 ( 7.368 0.000 1.540) 7.527 12.372 ( 3.932 0.000 1.762) 4.308 12.418 ( -1.444 0.000 -1.606) 2.160 12.488 ( -1.968 0.000 -4.638) 5.038 12.648 ( 0.383 0.000 -7.409) 7.419 12.757 ( -2.988 0.000 6.329) 6.999 13.056 ( -6.676 0.000 8.786) 11.035 13.284 ( -3.196 0.000 -2.793) 4.244 13.386 ( 0.128 0.000 -4.668) 4.670 13.648 ( 2.731 0.000 2.965) 4.031 13.687 ( 0.880 0.000 -4.482) 4.567 13.751 ( 0.159 0.000 3.743) 3.746 13.783 ( 9.680 0.000 -6.596) 11.713 13.871 ( 5.174 0.000 5.879) 7.831 15.138 ( -2.872 0.000 -2.845) 4.043 15.150 ( -3.963 0.000 1.958) 4.421 15.766 ( 4.103 0.000 -3.164) 5.181 15.861 ( 2.203 0.000 3.862) 4.446 16.262 ( -7.269 0.000 6.375) 9.668 16.472 ( -4.310 0.000 -6.618) 7.897 17.569 ( 6.431 0.000 3.887) 7.514 17.573 ( -0.039 0.000 -1.694) 1.694 17.762 ( -40.015 0.000 0.454) 40.017 19.123 ( -12.038 0.000 -25.211) 27.937 20.049 ( 8.477 0.000 11.430) 14.230 20.634 ( 32.314 0.000 0.054) 32.314 21.249 ( -2.543 0.000 1.172) 2.800 21.610 ( -2.185 0.000 -3.961) 4.524 22.554 ( 2.848 0.000 2.297) 3.659 22.620 ( -1.591 0.000 -2.393) 2.874 22.798 ( 18.790 0.000 -0.960) 18.814 22.802 ( 23.251 0.000 5.710) 23.942 23.304 ( 1.072 0.000 -0.821) 1.351 23.367 ( 1.525 0.000 -0.509) 1.608 24.058 ( -4.010 0.000 -7.022) 8.086 24.406 ( -6.195 0.000 8.634) 10.626 24.893 ( 8.548 0.000 4.227) 9.536 25.405 ( 20.370 0.000 -5.489) 21.096 25.521 ( -3.578 0.000 5.713) 6.741 25.855 ( 2.609 0.000 -3.520) 4.381 26.142 ( 6.683 0.000 -4.687) 8.163 26.190 ( 5.899 0.000 5.034) 7.755 26.786 ( -4.424 0.000 -1.798) 4.776 26.888 ( 0.898 0.000 6.520) 6.582 26.973 ( -3.577 0.000 -3.541) 5.033 27.253 ( 1.201 0.000 0.046) 1.201 27.885 ( -6.087 0.000 4.957) 7.850 27.917 ( -3.941 0.000 -7.517) 8.487 28.167 ( -0.320 0.000 -0.467) 0.566 28.178 ( -0.292 0.000 0.692) 0.751 ======================= Grid point 87 (34/64) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -33.344 0.000 -0.202) 33.344 0.655 ( -16.693 0.000 17.607) 24.263 1.337 ( -17.737 0.000 13.179) 22.097 1.585 ( -24.818 0.000 13.539) 28.270 1.767 ( 14.302 0.000 -13.068) 19.373 1.952 ( 8.643 0.000 -12.888) 15.518 2.189 ( -11.079 0.000 5.939) 12.571 2.332 ( 2.895 0.000 -9.434) 9.868 2.605 ( -1.600 0.000 12.926) 13.025 2.687 ( -17.652 0.000 -14.292) 22.712 2.761 ( -3.337 0.000 1.398) 3.618 2.873 ( -4.643 0.000 -6.734) 8.180 2.900 ( -7.493 0.000 -7.881) 10.874 2.953 ( -0.114 0.000 3.279) 3.281 3.037 ( -1.312 0.000 3.116) 3.381 3.067 ( -5.350 0.000 4.262) 6.840 3.260 ( -11.197 0.000 8.042) 13.786 3.413 ( 1.703 0.000 7.002) 7.206 3.414 ( 0.053 0.000 2.157) 2.158 3.489 ( -4.144 0.000 0.692) 4.201 3.548 ( -6.410 0.000 -7.363) 9.762 3.563 ( -5.703 0.000 4.480) 7.252 3.711 ( -5.539 0.000 -2.519) 6.085 3.830 ( 0.176 0.000 3.236) 3.241 3.908 ( -0.012 0.000 -2.810) 2.810 3.965 ( 4.943 0.000 1.077) 5.059 4.021 ( -0.617 0.000 -4.197) 4.242 4.113 ( 0.318 0.000 0.783) 0.845 4.192 ( 1.287 0.000 -2.982) 3.248 4.302 ( 1.689 0.000 1.674) 2.378 4.343 ( 4.158 0.000 -4.753) 6.315 4.471 ( 3.368 0.000 -5.078) 6.093 4.475 ( 1.615 0.000 -1.421) 2.151 4.530 ( -6.457 0.000 6.649) 9.268 4.582 ( 1.616 0.000 -3.271) 3.649 4.659 ( -6.818 0.000 0.511) 6.837 4.823 ( 3.751 0.000 0.398) 3.772 4.964 ( 0.562 0.000 4.192) 4.230 5.017 ( -5.435 0.000 -3.167) 6.290 5.073 ( -2.095 0.000 -2.941) 3.611 5.315 ( 1.139 0.000 -4.476) 4.618 5.332 ( -4.948 0.000 -0.067) 4.949 5.453 ( -3.506 0.000 8.728) 9.406 5.497 ( 1.569 0.000 -2.034) 2.569 5.655 ( 5.956 0.000 6.702) 8.966 5.733 ( 1.638 0.000 -1.535) 2.245 5.788 ( 2.797 0.000 -4.589) 5.374 5.799 ( -0.487 0.000 1.449) 1.529 6.084 ( -7.670 0.000 2.645) 8.113 6.133 ( 4.631 0.000 0.170) 4.634 6.144 ( -1.113 0.000 4.975) 5.098 6.433 ( -1.422 0.000 -2.015) 2.466 6.613 ( 1.151 0.000 1.969) 2.281 6.636 ( -2.907 0.000 -1.668) 3.351 6.704 ( 9.646 0.000 -5.910) 11.313 6.775 ( -10.167 0.000 -4.779) 11.235 7.064 ( 8.386 0.000 -4.239) 9.396 7.144 ( -2.288 0.000 -3.408) 4.105 7.266 ( -2.608 0.000 -0.928) 2.768 7.509 ( -3.235 0.000 -4.967) 5.928 7.538 ( 1.419 0.000 -2.860) 3.193 7.723 ( -7.865 0.000 -2.043) 8.126 7.775 ( 4.023 0.000 3.950) 5.638 7.898 ( 11.473 0.000 2.085) 11.661 7.954 ( -0.964 0.000 3.775) 3.896 8.140 ( 2.335 0.000 4.518) 5.086 8.238 ( 2.643 0.000 -9.322) 9.689 8.277 ( -4.893 0.000 -18.623) 19.255 8.603 ( 8.953 0.000 1.313) 9.049 8.638 ( 0.634 0.000 -5.222) 5.261 8.724 ( 0.047 0.000 -9.979) 9.979 8.753 ( -7.673 0.000 0.696) 7.704 8.966 ( 10.332 0.000 1.673) 10.466 9.043 ( 9.339 0.000 9.941) 13.639 9.110 ( 1.254 0.000 5.042) 5.195 9.181 ( -1.094 0.000 3.804) 3.958 9.390 ( 3.492 0.000 0.374) 3.512 9.452 ( 4.882 0.000 3.115) 5.792 9.750 ( 0.442 0.000 17.159) 17.165 10.081 ( -3.620 0.000 -0.637) 3.675 10.231 ( -5.984 0.000 0.342) 5.994 10.245 ( -1.844 0.000 1.590) 2.435 10.690 ( 2.370 0.000 3.549) 4.268 10.720 ( 6.856 0.000 -2.353) 7.249 10.782 ( 8.958 0.000 -2.350) 9.261 10.932 ( -0.956 0.000 -2.586) 2.757 11.076 ( 1.126 0.000 4.492) 4.631 11.271 ( -1.024 0.000 -2.884) 3.060 11.301 ( -1.716 0.000 -3.075) 3.521 11.351 ( 0.957 0.000 8.261) 8.317 11.518 ( 9.878 0.000 1.152) 9.945 11.844 ( 7.422 0.000 2.360) 7.788 11.866 ( 1.604 0.000 -2.442) 2.921 11.994 ( 8.933 0.000 11.925) 14.900 12.384 ( 0.785 0.000 0.302) 0.841 12.428 ( -4.376 0.000 -5.092) 6.714 12.457 ( 3.932 0.000 -0.331) 3.945 12.502 ( 9.533 0.000 0.927) 9.578 12.676 ( 5.111 0.000 -8.294) 9.742 12.715 ( -2.894 0.000 7.502) 8.041 12.984 ( -2.923 0.000 13.351) 13.667 13.240 ( 2.395 0.000 -5.005) 5.548 13.255 ( -6.118 0.000 -3.229) 6.918 13.617 ( -7.596 0.000 1.115) 7.677 13.803 ( 5.030 0.000 3.830) 6.322 13.824 ( 9.379 0.000 -3.253) 9.927 13.939 ( 7.225 0.000 -4.463) 8.492 13.987 ( 2.934 0.000 3.557) 4.611 15.060 ( -5.136 0.000 1.804) 5.443 15.069 ( -2.612 0.000 -2.144) 3.379 15.804 ( 0.140 0.000 -5.122) 5.124 15.910 ( 0.460 0.000 5.343) 5.363 16.135 ( -7.878 0.000 4.377) 9.012 16.389 ( -1.185 0.000 -6.779) 6.882 16.921 ( -37.149 0.000 -1.529) 37.181 17.571 ( -0.146 0.000 0.342) 0.372 17.689 ( 3.373 0.000 -0.911) 3.494 18.212 ( -70.472 0.000 -67.992) 97.924 20.632 ( 44.138 0.000 39.521) 59.246 21.198 ( 4.372 0.000 1.906) 4.769 21.355 ( 28.804 0.000 0.828) 28.816 21.539 ( -2.916 0.000 -4.317) 5.210 22.570 ( -2.352 0.000 -1.106) 2.599 22.631 ( 3.703 0.000 2.154) 4.284 23.126 ( 7.746 0.000 3.877) 8.662 23.219 ( -5.802 0.000 -10.989) 12.427 23.281 ( 17.685 0.000 10.796) 20.720 23.390 ( 5.506 0.000 -3.827) 6.705 23.908 ( -9.404 0.000 -4.595) 10.466 24.202 ( -16.627 0.000 7.584) 18.275 25.087 ( 8.270 0.000 7.002) 10.836 25.401 ( -4.824 0.000 -0.378) 4.839 25.915 ( 25.137 0.000 0.277) 25.139 25.981 ( 11.406 0.000 -0.933) 11.444 26.249 ( 4.993 0.000 -5.182) 7.196 26.363 ( 10.409 0.000 7.532) 12.848 26.696 ( -3.162 0.000 -1.308) 3.422 26.837 ( -7.331 0.000 0.680) 7.362 26.962 ( 2.994 0.000 2.702) 4.033 27.235 ( -2.712 0.000 -0.985) 2.885 27.714 ( -14.711 0.000 -13.336) 19.856 27.725 ( -12.110 0.000 5.702) 13.385 28.149 ( -0.815 0.000 -0.392) 0.904 28.162 ( -1.268 0.000 0.501) 1.364 ======================= Grid point 88 (35/64) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -5.286 12.776 21.885) 25.887 0.988 ( 10.787 16.327 25.817) 32.395 1.208 ( 0.598 11.692 -8.782) 14.635 1.451 ( -0.025 10.781 32.045) 33.810 1.626 ( -19.933 8.755 -20.369) 29.814 1.951 ( -2.958 -7.816 6.426) 10.542 2.153 ( 5.320 -0.344 -16.355) 17.202 2.378 ( 6.140 -0.069 -7.628) 9.793 2.437 ( 8.757 -4.034 -8.003) 12.530 2.507 ( -10.448 -4.566 6.940) 13.349 2.708 ( -0.771 -2.690 -6.381) 6.967 2.761 ( 0.816 -7.310 -2.088) 7.646 2.843 ( 3.272 -2.269 2.019) 4.464 2.894 ( 0.253 -0.850 -4.543) 4.628 2.949 ( 0.878 -3.629 0.151) 3.737 3.031 ( -0.223 -2.958 -4.669) 5.531 3.144 ( 3.565 -4.007 8.534) 10.080 3.292 ( -1.167 -1.368 -4.621) 4.959 3.394 ( -1.561 0.370 3.987) 4.298 3.428 ( -2.875 0.299 2.826) 4.042 3.508 ( -1.945 0.713 6.606) 6.924 3.628 ( -0.767 3.229 -1.443) 3.620 3.661 ( 3.060 2.313 3.599) 5.260 3.797 ( -3.548 0.718 -4.436) 5.726 3.934 ( 2.997 -3.021 4.155) 5.947 3.971 ( -0.212 0.015 -2.026) 2.038 4.043 ( 1.637 0.042 -4.501) 4.789 4.151 ( 0.292 1.732 -7.161) 7.373 4.193 ( 4.651 -6.299 10.060) 12.748 4.279 ( -0.242 -2.870 -0.453) 2.915 4.406 ( -1.389 0.547 -7.285) 7.437 4.410 ( -0.122 -2.104 -2.385) 3.182 4.508 ( -3.287 1.998 3.027) 4.894 4.584 ( 2.727 1.602 -2.517) 4.042 4.638 ( 2.016 4.045 2.827) 5.331 4.739 ( -0.138 9.381 -4.130) 10.251 4.903 ( -3.694 0.550 3.040) 4.815 4.940 ( 1.445 3.123 -0.622) 3.497 5.001 ( -2.989 4.221 -2.444) 5.721 5.035 ( 2.574 8.292 -1.873) 8.882 5.235 ( -3.755 -0.323 3.320) 5.023 5.293 ( 2.175 0.641 -2.942) 3.714 5.420 ( -0.293 -2.921 3.707) 4.729 5.490 ( 0.814 -2.549 -3.217) 4.185 5.650 ( -9.372 -1.612 7.050) 11.838 5.746 ( 0.655 0.174 2.100) 2.207 5.787 ( 3.853 -1.034 3.765) 5.486 5.826 ( 4.078 -4.770 -2.399) 6.719 6.112 ( -0.072 5.796 4.643) 7.426 6.169 ( 3.907 2.527 2.288) 5.185 6.327 ( -0.028 9.410 -0.577) 9.428 6.409 ( -3.169 1.944 -4.408) 5.766 6.489 ( -9.280 -2.346 0.421) 9.581 6.555 ( 2.421 -4.706 -6.199) 8.151 6.655 ( 1.702 3.083 -1.079) 3.684 6.694 ( -2.909 3.404 -5.513) 7.102 6.988 ( -4.834 -4.136 7.223) 9.625 7.128 ( 0.014 0.238 -5.911) 5.916 7.218 ( -2.735 -5.202 3.720) 6.956 7.303 ( 8.326 -4.315 -3.169) 9.899 7.593 ( -1.176 1.935 3.258) 3.968 7.604 ( -3.998 1.973 1.245) 4.629 7.824 ( 1.433 -1.586 4.899) 5.345 7.893 ( -2.259 -2.210 -1.628) 3.555 7.943 ( -1.023 -3.242 10.121) 10.677 8.029 ( 0.658 -4.563 -0.925) 4.702 8.157 ( 1.798 -1.292 -4.282) 4.821 8.250 ( -0.504 0.437 -8.831) 8.856 8.533 ( -2.130 -6.061 6.462) 9.112 8.613 ( 3.466 -2.400 4.007) 5.816 8.714 ( 1.214 -4.858 -6.438) 8.156 8.735 ( 0.133 -4.205 -5.920) 7.262 9.060 ( -6.913 -1.333 5.799) 9.121 9.093 ( 5.508 -2.145 4.340) 7.333 9.156 ( 1.435 1.723 5.097) 5.568 9.253 ( 1.467 1.013 -3.708) 4.114 9.489 ( -0.236 1.200 3.898) 4.086 9.557 ( -2.448 1.600 -0.920) 3.066 9.920 ( 2.565 -0.300 -0.360) 2.608 9.976 ( 0.605 -3.277 -3.623) 4.922 10.188 ( 1.653 -1.930 2.303) 3.429 10.218 ( 1.604 -0.776 0.390) 1.824 10.661 ( -2.496 -1.475 4.136) 5.051 10.740 ( 2.892 -3.694 -2.087) 5.135 10.887 ( -3.999 -0.531 1.581) 4.333 10.915 ( 1.926 -2.314 0.180) 3.016 11.117 ( 3.568 -1.742 1.227) 4.156 11.169 ( -2.830 -0.872 -3.911) 4.906 11.390 ( 1.307 5.389 1.810) 5.833 11.428 ( -1.339 5.826 -5.117) 7.869 11.705 ( 2.882 -0.578 7.523) 8.077 11.866 ( -1.325 -2.268 -3.809) 4.627 11.979 ( 3.068 2.741 -0.083) 4.115 12.026 ( -13.163 0.757 -3.459) 13.630 12.423 ( 2.992 -1.980 2.393) 4.313 12.482 ( 6.223 -5.143 1.753) 8.262 12.509 ( 0.939 -0.730 0.812) 1.441 12.545 ( -3.660 -3.802 -0.341) 5.289 12.666 ( 0.677 -6.098 6.778) 9.143 12.727 ( -0.238 0.410 -1.325) 1.408 12.937 ( 2.375 -10.903 11.285) 15.870 13.140 ( 6.894 -10.766 -5.354) 13.860 13.357 ( 4.195 -0.092 1.608) 4.494 13.409 ( -6.729 -1.900 -1.456) 7.142 13.932 ( 0.329 0.618 1.206) 1.394 13.987 ( -1.509 3.580 -4.165) 5.696 14.013 ( -1.505 1.799 0.452) 2.389 14.033 ( 2.508 0.290 -1.063) 2.739 15.132 ( 2.190 9.965 -1.154) 10.267 15.142 ( 0.832 10.156 -1.577) 10.311 15.713 ( 8.415 -1.821 2.161) 8.877 15.791 ( -6.954 -1.192 -5.015) 8.656 16.095 ( 7.183 -3.401 5.322) 9.564 16.173 ( -18.317 -7.451 -0.105) 19.775 16.504 ( -5.753 1.167 2.537) 6.395 16.554 ( 3.387 1.112 -1.618) 3.915 17.605 ( 0.992 0.209 3.019) 3.185 17.685 ( -1.087 -1.147 -3.463) 3.807 20.963 ( 11.979 -20.637 26.315) 35.523 21.308 ( -3.956 -10.727 -9.382) 14.790 21.688 ( 2.566 0.899 3.719) 4.607 21.761 ( -1.566 1.748 -2.459) 3.399 22.090 ( 1.196 -18.765 19.355) 26.985 22.404 ( -3.263 -17.004 -8.455) 19.269 23.134 ( -5.916 5.810 4.324) 9.351 23.289 ( 5.450 5.190 -9.291) 11.956 23.673 ( -12.156 6.183 1.496) 13.720 23.702 ( 2.646 -2.069 -0.414) 3.384 23.819 ( 8.175 1.688 4.362) 9.419 23.969 ( 9.419 9.002 -10.764) 16.900 25.184 ( 6.863 -7.697 3.522) 10.897 25.255 ( -1.885 -6.092 -2.400) 6.814 25.745 ( -9.846 -15.799 19.821) 27.193 25.998 ( 0.637 -10.624 -5.122) 11.811 26.261 ( 1.556 -5.810 5.963) 8.469 26.360 ( 0.527 -3.581 -2.146) 4.208 26.806 ( -5.894 7.492 4.711) 10.633 27.015 ( 3.945 6.007 -11.894) 13.896 27.100 ( 7.775 2.641 3.162) 8.799 27.181 ( -10.156 1.303 -3.163) 10.717 27.579 ( -4.497 8.875 3.494) 10.545 27.708 ( 8.652 11.462 -9.304) 17.112 28.130 ( -0.827 -1.188 0.241) 1.468 28.136 ( 0.902 -1.024 -0.274) 1.392 ======================= Grid point 89 (36/64) ======================= q-point: ( 0.10 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 1.879 0.914 22.699) 22.795 1.064 ( -3.559 14.391 10.996) 18.457 1.251 ( 9.798 9.329 3.452) 13.962 1.398 ( 13.529 11.927 -9.893) 20.571 1.878 ( 4.257 3.361 4.784) 7.232 2.060 ( 6.507 -4.921 11.358) 13.984 2.176 ( 5.739 -0.195 -17.471) 18.391 2.327 ( 11.178 -3.498 2.831) 12.049 2.404 ( 8.633 -0.018 -10.101) 13.287 2.684 ( 4.178 -2.311 2.875) 5.574 2.708 ( 1.343 -6.259 0.634) 6.432 2.831 ( 3.818 -3.352 -2.436) 5.634 2.869 ( 0.577 -1.455 -0.942) 1.827 2.940 ( 2.818 -3.118 -5.656) 7.046 3.028 ( 5.567 -4.243 3.885) 8.005 3.113 ( 8.965 -3.729 -3.243) 10.237 3.298 ( 5.586 -5.841 7.593) 11.090 3.357 ( 3.543 -2.746 2.050) 4.929 3.415 ( 3.690 3.465 -0.074) 5.062 3.442 ( 7.145 -1.055 0.716) 7.257 3.549 ( 2.873 0.552 5.787) 6.485 3.643 ( 2.793 1.787 -1.915) 3.829 3.678 ( -2.318 4.754 -2.237) 5.743 3.772 ( 3.860 2.464 0.764) 4.643 3.919 ( -1.869 -1.386 -1.157) 2.599 4.035 ( 2.028 -4.453 1.536) 5.128 4.043 ( -5.433 -3.166 -4.546) 7.760 4.064 ( -1.775 -6.959 -1.470) 7.330 4.164 ( 0.873 4.967 -1.911) 5.393 4.295 ( -0.571 -2.255 4.963) 5.482 4.355 ( -4.539 2.592 1.615) 5.470 4.391 ( 2.389 3.899 -6.937) 8.308 4.545 ( 1.759 0.946 -4.263) 4.707 4.609 ( 1.736 6.818 3.144) 7.706 4.664 ( 3.401 1.052 -2.631) 4.427 4.723 ( -0.367 5.188 -1.572) 5.433 4.819 ( -0.359 1.522 1.247) 2.000 5.000 ( 3.014 2.001 0.194) 3.623 5.042 ( -4.290 9.991 5.048) 11.988 5.075 ( 5.346 3.356 -6.370) 8.967 5.170 ( -2.499 -2.761 3.532) 5.132 5.371 ( 0.877 -1.453 4.929) 5.213 5.406 ( 0.300 -0.219 -4.457) 4.472 5.495 ( 0.868 -2.241 0.422) 2.440 5.561 ( -0.774 -2.081 7.757) 8.068 5.742 ( -3.241 -3.035 -1.988) 4.865 5.799 ( -0.050 -1.749 1.939) 2.611 5.919 ( 1.323 -4.338 -6.236) 7.711 6.085 ( -2.496 0.733 1.064) 2.810 6.204 ( -1.906 6.576 0.805) 6.894 6.310 ( -0.733 3.696 4.511) 5.878 6.360 ( -2.169 3.215 -4.112) 5.652 6.460 ( 5.366 -3.899 1.203) 6.741 6.634 ( -2.497 1.441 0.523) 2.930 6.721 ( 5.302 -0.600 -3.091) 6.167 6.823 ( 7.792 4.450 -3.531) 9.642 6.971 ( 6.856 -3.599 0.999) 7.808 7.107 ( 2.581 -0.657 -2.215) 3.464 7.241 ( 2.025 -1.787 0.224) 2.710 7.416 ( -0.182 -4.525 -4.176) 6.160 7.453 ( -3.459 0.616 3.792) 5.170 7.672 ( 2.297 1.455 6.894) 7.410 7.835 ( -2.748 -1.442 -1.871) 3.624 7.883 ( -0.139 -1.418 11.808) 11.894 7.940 ( -5.704 -4.371 -2.859) 7.734 7.978 ( 1.412 -3.159 5.141) 6.197 8.135 ( -2.360 2.123 -6.918) 7.612 8.225 ( -0.328 -0.692 -0.332) 0.835 8.459 ( -4.691 -2.259 3.310) 6.169 8.544 ( -7.248 -5.862 -6.951) 11.628 8.725 ( 0.901 0.151 0.281) 0.956 8.752 ( -0.546 -6.692 -6.402) 9.277 8.921 ( -5.799 0.031 -0.084) 5.799 9.001 ( -8.555 -2.281 5.931) 10.656 9.266 ( 2.108 2.693 4.762) 5.863 9.284 ( 0.062 2.097 -2.132) 2.991 9.398 ( -6.618 1.577 1.787) 7.034 9.507 ( -1.842 -0.170 -1.269) 2.244 9.970 ( -0.289 -1.841 -4.389) 4.768 9.995 ( 4.410 -2.968 3.304) 6.259 10.243 ( 1.711 -5.335 -1.911) 5.920 10.272 ( 3.507 -1.529 -1.744) 4.204 10.626 ( -2.375 -0.718 2.435) 3.476 10.743 ( -7.561 0.808 3.074) 8.202 10.800 ( 0.137 -0.762 -4.955) 5.015 10.931 ( -0.843 -0.439 1.060) 1.424 11.090 ( -1.807 -3.914 -2.778) 5.128 11.157 ( -0.317 -1.114 2.700) 2.938 11.353 ( -4.119 5.922 2.602) 7.668 11.441 ( 0.481 3.026 -0.480) 3.102 11.542 ( -12.167 2.557 0.672) 12.451 11.783 ( -2.777 1.151 5.173) 5.982 11.872 ( -4.439 1.173 -1.355) 4.787 12.103 ( 0.417 -2.159 2.498) 3.328 12.325 ( -4.379 -5.566 -1.435) 7.226 12.414 ( -3.452 -1.171 -1.655) 4.003 12.480 ( -1.836 -0.234 0.920) 2.067 12.513 ( -0.292 -0.437 0.286) 0.598 12.585 ( -11.114 3.973 -1.976) 11.967 12.799 ( 6.087 -1.766 -0.632) 6.369 12.929 ( 1.302 -8.379 7.829) 11.541 13.170 ( 0.706 -8.466 -10.389) 13.420 13.351 ( 1.802 3.243 -2.517) 4.484 13.545 ( 8.828 -2.343 3.634) 9.830 13.779 ( -8.206 0.910 2.453) 8.613 13.842 ( -8.558 -0.367 2.001) 8.796 13.946 ( -6.364 3.751 -3.424) 8.142 14.060 ( -2.502 2.275 0.073) 3.382 15.132 ( 1.050 8.667 1.206) 8.813 15.174 ( 3.151 7.527 -1.972) 8.395 15.734 ( -0.482 -0.981 -0.939) 1.441 15.967 ( -4.870 -3.036 1.478) 5.926 16.167 ( 0.074 -4.832 5.365) 7.221 16.251 ( 17.499 -8.321 -10.940) 22.252 16.995 ( 50.143 -3.596 -9.163) 51.100 17.291 ( 53.211 -2.681 9.918) 54.194 17.622 ( -3.363 -0.585 -1.951) 3.932 17.639 ( 1.725 -1.262 1.688) 2.723 20.962 ( -23.842 -10.709 -13.201) 29.281 21.035 ( -19.250 -15.557 14.525) 28.698 21.426 ( -7.579 7.432 -1.205) 10.683 21.596 ( -8.001 8.724 -0.100) 11.837 22.324 ( 6.153 -20.955 5.663) 22.562 22.417 ( 3.083 -16.318 -0.498) 16.614 23.063 ( -2.437 3.273 3.024) 5.079 23.258 ( -11.907 4.106 -3.712) 13.131 23.381 ( -7.433 4.528 1.352) 8.808 23.528 ( -13.054 1.909 -1.522) 13.280 23.940 ( 6.274 3.068 -2.196) 7.321 24.299 ( 12.634 -6.084 -7.273) 15.797 25.167 ( -2.698 -5.216 -5.021) 7.726 25.388 ( 8.934 -4.034 -3.277) 10.336 25.493 ( -17.956 -8.567 14.999) 24.916 26.024 ( 0.328 -6.395 0.314) 6.411 26.158 ( -11.368 1.273 5.207) 12.568 26.339 ( -2.728 -3.773 -2.061) 5.092 26.741 ( -0.775 5.567 3.768) 6.767 26.978 ( -3.052 10.807 -0.999) 11.274 27.088 ( 0.685 -0.356 -6.348) 6.395 27.241 ( 1.516 5.966 4.298) 7.507 27.502 ( 5.397 -2.866 -0.499) 6.131 27.938 ( 7.256 2.014 -4.643) 8.847 28.110 ( 1.130 -1.371 -0.451) 1.833 28.197 ( 3.174 1.049 -0.153) 3.346 ======================= Grid point 90 (37/64) ======================= q-point: ( 0.20 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 20.213 2.045 14.618) 25.029 1.378 ( 29.394 7.663 3.256) 30.550 1.559 ( 16.266 3.332 2.202) 16.749 1.741 ( 18.243 1.263 -6.472) 19.398 1.939 ( 7.891 5.426 -0.782) 9.609 2.126 ( 4.310 -5.408 1.544) 7.085 2.181 ( 6.909 -0.475 -12.719) 14.482 2.426 ( 2.622 -3.418 -4.960) 6.570 2.659 ( -1.995 -6.952 3.486) 8.029 2.787 ( 3.475 -1.809 0.752) 3.989 2.857 ( -0.187 0.667 -1.058) 1.265 2.912 ( 5.855 -2.746 -3.845) 7.524 2.950 ( 13.255 -6.105 -0.461) 14.600 3.074 ( 6.922 -3.366 -0.094) 7.698 3.166 ( 15.720 0.831 7.628) 17.493 3.274 ( 2.474 -4.868 -0.315) 5.469 3.367 ( 2.757 -0.627 5.476) 6.162 3.389 ( 1.577 -3.027 -3.013) 4.553 3.431 ( -0.237 4.529 11.628) 12.481 3.524 ( -3.231 2.431 -2.305) 4.655 3.624 ( 0.597 -4.764 3.172) 5.755 3.727 ( 7.706 -0.815 -5.449) 9.473 3.799 ( 7.347 -1.271 -4.413) 8.665 3.867 ( 3.786 4.272 4.974) 7.571 3.904 ( 4.016 3.440 -2.310) 5.770 3.944 ( 4.173 -3.214 2.556) 5.854 4.056 ( 1.272 -4.391 -1.165) 4.717 4.116 ( 1.201 -5.470 3.368) 6.535 4.243 ( 2.422 4.455 1.895) 5.413 4.269 ( 2.477 4.232 -4.591) 6.717 4.314 ( 2.111 -0.500 4.974) 5.426 4.460 ( 2.454 8.644 -4.539) 10.067 4.527 ( 1.309 2.895 -0.612) 3.235 4.659 ( 3.316 1.647 -3.807) 5.311 4.678 ( -1.475 2.248 -1.747) 3.206 4.749 ( -0.061 0.516 -1.404) 1.497 4.863 ( 0.105 -0.636 0.949) 1.148 4.938 ( -1.316 5.002 2.101) 5.583 5.018 ( -2.163 8.096 1.062) 8.447 5.135 ( 3.618 4.062 -5.923) 8.042 5.146 ( -1.184 -1.978 3.045) 3.819 5.321 ( -2.711 1.522 0.817) 3.214 5.452 ( 1.717 -4.095 -0.372) 4.456 5.525 ( 0.949 -2.674 2.506) 3.785 5.592 ( -1.797 -4.008 1.086) 4.524 5.658 ( -1.716 -2.412 -3.154) 4.326 5.803 ( 0.117 0.043 -0.020) 0.127 5.857 ( -2.501 0.634 -4.359) 5.066 6.040 ( -1.716 -0.260 2.235) 2.829 6.149 ( -4.503 3.163 2.131) 5.901 6.287 ( -1.297 1.115 -2.170) 2.763 6.364 ( 0.314 -0.723 2.553) 2.672 6.489 ( -5.856 1.314 2.827) 6.634 6.583 ( 0.699 -1.327 -0.320) 1.534 6.650 ( -6.101 1.624 -6.729) 9.227 6.911 ( 2.352 -2.518 2.308) 4.148 7.095 ( 2.426 -1.306 -3.380) 4.360 7.228 ( -0.464 0.170 -3.582) 3.616 7.238 ( 2.708 -2.428 0.123) 3.640 7.343 ( -1.325 -1.719 1.712) 2.764 7.491 ( 1.007 1.462 3.944) 4.325 7.679 ( -8.471 -2.705 -2.115) 9.141 7.721 ( -2.478 -1.672 3.095) 4.302 7.784 ( -7.776 0.126 2.021) 8.035 7.880 ( -0.885 2.464 -1.201) 2.881 8.073 ( -1.012 -3.109 12.930) 13.337 8.123 ( 2.285 -1.132 -1.909) 3.186 8.210 ( 0.069 0.105 3.480) 3.482 8.365 ( -3.814 -3.863 -5.538) 7.755 8.380 ( -6.465 0.463 -6.105) 8.904 8.643 ( -2.358 -2.171 0.513) 3.246 8.757 ( -2.578 -3.228 0.932) 4.235 8.828 ( -3.228 -5.747 -2.683) 7.116 8.879 ( -3.511 -0.751 2.179) 4.200 9.212 ( -3.758 0.789 0.301) 3.851 9.266 ( -3.501 4.669 3.962) 7.054 9.341 ( -0.260 4.588 0.091) 4.597 9.479 ( -0.230 0.430 -3.252) 3.289 9.938 ( -1.196 -1.287 -3.728) 4.121 10.079 ( 0.892 -3.907 5.140) 6.517 10.217 ( -2.563 -3.661 -4.696) 6.482 10.287 ( -3.934 -3.284 0.880) 5.200 10.569 ( -2.402 1.238 0.317) 2.720 10.594 ( -4.075 4.270 1.472) 6.083 10.775 ( -1.690 -0.529 -7.400) 7.609 10.891 ( -3.650 0.397 3.269) 4.916 11.087 ( 1.124 -3.854 -2.061) 4.513 11.145 ( -3.310 -2.891 7.017) 8.279 11.276 ( -1.809 5.743 0.851) 6.081 11.366 ( -1.732 2.528 0.350) 3.084 11.487 ( -0.703 2.805 -0.962) 3.048 11.716 ( -4.217 -0.775 0.846) 4.370 11.786 ( -3.465 1.831 1.719) 4.279 12.016 ( -3.408 -2.482 -5.548) 6.968 12.297 ( -1.685 -2.047 1.743) 3.173 12.382 ( -1.108 -0.684 -3.431) 3.670 12.423 ( -1.733 -0.079 -0.644) 1.851 12.459 ( -1.366 0.242 -0.990) 1.704 12.564 ( 3.248 2.193 0.146) 3.922 12.856 ( 3.423 -0.715 -0.808) 3.589 13.080 ( 7.458 -5.998 7.980) 12.461 13.176 ( 1.775 -3.901 -6.046) 7.411 13.401 ( 1.809 1.255 -2.213) 3.122 13.570 ( -5.144 -3.127 -0.717) 6.062 13.652 ( -9.233 0.892 3.022) 9.756 13.737 ( -0.353 3.920 3.708) 5.408 13.834 ( -0.773 2.783 -1.762) 3.383 13.965 ( -6.118 1.456 -0.961) 6.361 15.168 ( 1.778 7.258 1.380) 7.599 15.246 ( 3.460 5.511 -1.624) 6.707 15.704 ( -1.945 -2.232 -0.617) 3.024 15.878 ( -4.932 -2.435 1.354) 5.665 16.240 ( 5.483 -4.559 4.335) 8.345 16.436 ( 7.493 -2.087 -5.231) 9.373 17.532 ( -3.845 -0.307 1.202) 4.040 17.609 ( -2.442 -1.373 -0.542) 2.853 17.960 ( 43.291 -4.735 -15.085) 46.088 18.354 ( 38.311 -3.963 19.054) 42.971 20.368 ( -23.575 -1.474 -11.389) 26.223 20.556 ( -26.945 -2.515 5.738) 27.663 21.393 ( 1.570 2.945 -5.172) 6.155 21.534 ( -1.016 5.486 4.019) 6.876 22.368 ( -2.314 -17.262 0.736) 17.432 22.415 ( -2.880 -13.235 0.671) 13.561 22.880 ( -16.399 6.842 -0.037) 17.769 22.991 ( -11.352 7.354 2.370) 13.732 23.271 ( -2.507 -3.086 -2.612) 4.757 23.361 ( -5.486 -1.439 0.115) 5.673 24.022 ( 3.250 -0.495 -2.597) 4.190 24.419 ( 2.665 -9.559 -2.745) 10.296 25.049 ( -8.118 -0.723 -5.645) 9.915 25.179 ( -15.843 -0.973 9.337) 18.415 25.543 ( 7.472 -2.219 -2.740) 8.262 25.948 ( -8.174 9.372 3.026) 12.798 26.006 ( -2.862 -4.751 1.423) 5.726 26.242 ( -5.647 -0.746 -1.592) 5.915 26.779 ( 2.558 3.105 2.315) 4.642 26.935 ( -1.491 3.887 1.273) 4.354 27.085 ( 0.663 0.827 -5.803) 5.899 27.244 ( -1.932 3.719 3.317) 5.345 27.656 ( 7.122 -9.231 0.882) 11.693 27.987 ( 0.591 -3.761 -1.452) 4.075 28.156 ( 2.327 2.596 -0.484) 3.519 28.243 ( 1.171 2.710 -0.052) 2.953 ======================= Grid point 91 (38/64) ======================= q-point: ( 0.30 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 26.260 2.253 -0.239) 26.358 1.861 ( 17.287 -3.983 -10.125) 20.426 1.941 ( 18.296 -1.762 8.815) 20.385 2.070 ( 8.290 -1.587 -5.314) 9.974 2.164 ( 25.708 2.545 -1.793) 25.896 2.313 ( 6.980 -4.266 1.879) 8.394 2.372 ( 7.241 -6.070 -2.869) 9.875 2.514 ( 12.915 3.728 -0.830) 13.468 2.647 ( -2.402 -3.720 8.085) 9.218 2.847 ( -0.706 0.705 -2.491) 2.683 2.891 ( 8.766 -1.008 0.122) 8.825 2.996 ( 2.523 -1.189 -4.700) 5.465 3.028 ( -0.001 0.432 0.369) 0.568 3.172 ( 4.407 -6.102 -8.268) 11.182 3.182 ( -3.000 -2.191 1.211) 3.908 3.321 ( 0.331 1.804 -3.762) 4.185 3.362 ( -1.382 1.449 4.287) 4.732 3.443 ( -3.599 2.149 7.346) 8.458 3.538 ( -1.355 -0.497 5.419) 5.608 3.568 ( 5.166 -1.128 1.517) 5.500 3.701 ( 3.713 -2.106 7.693) 8.798 3.823 ( 0.502 -3.666 -0.866) 3.800 3.852 ( 6.639 -2.988 -1.510) 7.435 3.893 ( 1.289 2.930 1.906) 3.725 3.964 ( 2.598 -0.324 -0.500) 2.665 4.090 ( 1.126 -2.052 2.107) 3.149 4.188 ( 6.156 -2.243 0.274) 6.557 4.225 ( 13.461 2.092 3.740) 14.126 4.303 ( 3.267 -0.577 3.282) 4.667 4.343 ( 6.500 5.144 -7.001) 10.850 4.425 ( -2.298 8.865 4.219) 10.083 4.463 ( 0.619 -0.255 0.252) 0.715 4.524 ( 2.806 0.272 1.524) 3.205 4.664 ( -5.150 1.378 1.050) 5.433 4.681 ( 3.315 6.646 -5.310) 9.130 4.753 ( 5.349 -1.184 -1.829) 5.775 4.835 ( 3.658 2.575 -6.424) 7.829 4.959 ( -1.971 8.431 -2.798) 9.099 5.045 ( 5.101 0.224 0.029) 5.106 5.115 ( -2.220 -3.168 3.137) 4.980 5.204 ( 3.953 4.145 -1.946) 6.049 5.282 ( -1.268 1.828 0.135) 2.229 5.409 ( -7.050 -2.280 -5.113) 9.002 5.480 ( -1.459 -2.253 -2.159) 3.445 5.583 ( 0.768 -0.033 4.183) 4.253 5.637 ( -2.300 -1.309 1.522) 3.052 5.790 ( -3.542 -1.080 -3.207) 4.899 5.846 ( 2.099 -1.421 -0.047) 2.535 6.012 ( -1.781 1.105 0.122) 2.100 6.045 ( -5.698 0.215 3.053) 6.468 6.258 ( -7.754 1.949 -6.948) 10.592 6.291 ( -0.002 0.924 2.976) 3.117 6.358 ( -4.912 -1.178 -1.738) 5.342 6.494 ( -3.340 3.232 2.310) 5.190 6.684 ( 4.042 -5.367 -0.804) 6.767 6.944 ( -1.121 -3.990 5.867) 7.183 7.055 ( -3.740 -3.489 -0.663) 5.158 7.162 ( -4.542 -3.265 4.769) 7.350 7.291 ( 3.215 3.195 -5.435) 7.077 7.312 ( -3.642 -1.632 0.904) 4.092 7.430 ( -7.117 1.567 -1.112) 7.372 7.521 ( -3.279 3.355 1.810) 5.029 7.594 ( -8.576 1.456 -1.496) 8.827 7.711 ( -1.768 -1.553 3.596) 4.297 7.916 ( -1.092 0.390 4.951) 5.085 8.007 ( -0.929 -1.895 -2.396) 3.193 8.122 ( -7.074 3.610 3.476) 8.670 8.170 ( 1.385 -2.702 -0.155) 3.040 8.275 ( -1.127 -3.366 -15.103) 15.514 8.322 ( -1.344 2.942 -0.925) 3.364 8.597 ( -7.490 -2.677 8.842) 11.893 8.711 ( -1.807 -1.518 -3.090) 3.888 8.745 ( -1.012 -6.382 4.395) 7.815 8.908 ( 4.614 -3.967 -2.918) 6.748 9.175 ( 0.942 1.000 -0.402) 1.431 9.234 ( -2.099 0.260 3.747) 4.303 9.319 ( -1.655 7.344 -0.443) 7.542 9.479 ( 1.449 1.293 -2.954) 3.535 9.847 ( -6.998 -1.077 -0.942) 7.143 10.078 ( -1.690 -4.109 3.458) 5.630 10.147 ( -6.758 -2.947 -4.434) 8.603 10.168 ( -1.595 -1.216 1.908) 2.768 10.541 ( -2.410 2.498 5.529) 6.528 10.598 ( 3.491 0.971 -2.081) 4.178 10.700 ( -1.970 0.147 -9.700) 9.899 10.800 ( -6.913 0.231 7.167) 9.960 11.047 ( -3.881 -0.217 0.129) 3.889 11.099 ( -1.841 -0.839 -3.277) 3.852 11.292 ( 1.190 1.373 -1.622) 2.436 11.401 ( 3.650 1.902 4.359) 5.995 11.457 ( -1.785 2.981 3.593) 4.998 11.658 ( -0.769 -1.670 -1.653) 2.472 11.744 ( -0.821 1.779 0.488) 2.020 11.939 ( -2.973 -1.726 -2.874) 4.481 12.277 ( -2.111 -2.902 -2.650) 4.461 12.359 ( -5.319 -2.020 -0.003) 5.689 12.404 ( 2.454 -0.453 -3.110) 3.987 12.426 ( 2.622 0.357 3.911) 4.722 12.657 ( 5.458 2.357 -0.749) 5.992 12.916 ( -1.127 3.033 -5.014) 5.968 13.093 ( -3.522 -2.580 2.835) 5.205 13.232 ( 1.623 -3.830 3.197) 5.247 13.438 ( 4.185 -2.639 -1.378) 5.136 13.494 ( -3.921 0.104 4.964) 6.326 13.541 ( -0.205 0.990 -1.397) 1.725 13.740 ( -0.334 4.322 2.705) 5.109 13.788 ( -5.321 2.916 -2.903) 6.726 13.878 ( -0.790 -0.467 -1.494) 1.753 15.211 ( 2.056 5.493 1.326) 6.013 15.281 ( 0.494 5.280 -1.281) 5.455 15.660 ( -1.927 -2.251 -1.094) 3.159 15.778 ( -5.242 -1.687 1.581) 5.729 16.398 ( 8.106 -3.462 3.149) 9.360 16.564 ( 6.760 -0.529 -3.145) 7.475 17.468 ( -3.539 -1.364 4.211) 5.667 17.505 ( -6.114 -2.014 -4.262) 7.721 18.650 ( 29.722 -0.690 -10.726) 31.606 18.943 ( 14.664 -1.885 13.568) 20.066 19.992 ( -11.736 1.326 -2.212) 12.016 20.082 ( -19.728 0.849 0.357) 19.749 21.431 ( 4.307 3.122 -6.744) 8.589 21.532 ( -0.767 2.151 5.969) 6.391 22.214 ( -13.750 -7.095 1.400) 15.536 22.286 ( -10.258 -8.558 -1.601) 13.455 22.648 ( -3.088 4.040 0.699) 5.132 22.826 ( -3.914 5.909 -1.024) 7.161 23.200 ( -4.697 -6.434 -3.042) 8.527 23.241 ( -6.860 -3.250 2.154) 7.891 24.076 ( 3.098 -0.290 -1.355) 3.394 24.432 ( -0.207 -6.778 -1.220) 6.890 24.807 ( -12.257 0.844 -1.271) 12.351 24.947 ( -10.343 0.573 3.794) 11.032 25.670 ( 5.713 -0.736 -2.013) 6.102 25.845 ( -3.311 6.008 2.686) 7.368 25.944 ( -3.427 -2.100 0.501) 4.051 26.120 ( -5.507 0.184 -1.049) 5.609 26.841 ( 2.540 1.417 1.853) 3.448 26.917 ( -0.376 0.423 -0.754) 0.943 27.069 ( -0.500 0.887 -2.575) 2.768 27.191 ( -3.888 1.911 1.776) 4.682 27.776 ( 4.452 -8.952 1.281) 10.079 27.983 ( -0.383 -6.158 -1.092) 6.266 28.182 ( 0.409 4.770 0.054) 4.787 28.246 ( -0.699 3.839 -0.037) 3.902 ======================= Grid point 93 (39/64) ======================= q-point: ( 0.40 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 13.951 -3.723 -2.352) 14.629 2.145 ( 10.698 -5.280 -1.142) 11.985 2.240 ( 12.391 -4.916 -2.131) 13.500 2.354 ( 5.823 -6.720 1.224) 8.976 2.362 ( 10.887 -5.898 1.642) 12.490 2.539 ( 6.268 -0.760 -2.049) 6.638 2.556 ( -5.660 1.120 8.111) 9.954 2.614 ( 16.904 3.045 -0.231) 17.178 2.756 ( 8.217 -3.992 -5.090) 10.457 2.834 ( 3.097 -0.271 -3.574) 4.737 2.972 ( -0.598 -0.121 -3.815) 3.863 2.994 ( -0.859 1.531 -4.871) 5.178 3.105 ( 6.882 1.078 -3.190) 7.662 3.189 ( 3.439 -1.655 4.694) 6.050 3.230 ( -1.424 4.009 0.610) 4.298 3.320 ( -5.314 1.887 8.653) 10.328 3.351 ( -3.884 -0.102 5.230) 6.515 3.395 ( 9.575 5.014 -2.963) 11.208 3.439 ( -6.182 2.054 0.230) 6.518 3.534 ( -9.701 -8.598 -0.959) 12.998 3.767 ( 2.282 3.439 5.536) 6.905 3.847 ( 0.116 -0.845 0.081) 0.857 3.932 ( -0.933 4.578 3.342) 5.745 3.971 ( 2.241 -3.499 -0.752) 4.222 4.059 ( 6.259 -3.331 1.129) 7.179 4.130 ( 4.058 2.420 4.573) 6.576 4.250 ( 0.474 -0.177 0.578) 0.768 4.322 ( -5.130 6.465 -1.157) 8.334 4.362 ( 1.999 -4.686 -5.612) 7.579 4.423 ( 1.821 2.335 1.824) 3.478 4.454 ( 7.688 -0.314 -3.273) 8.361 4.514 ( 7.856 0.500 0.201) 7.874 4.601 ( -1.451 -0.288 0.332) 1.516 4.657 ( 1.913 -1.035 4.092) 4.634 4.725 ( 5.781 5.741 -4.709) 9.410 4.853 ( 4.746 -1.814 0.436) 5.100 4.899 ( 1.063 5.901 -4.382) 7.426 4.937 ( -0.313 2.391 -1.665) 2.930 5.054 ( -4.767 -0.647 2.761) 5.547 5.112 ( 0.457 4.018 -5.178) 6.570 5.240 ( -0.229 -0.781 3.301) 3.400 5.282 ( 1.696 2.010 0.696) 2.720 5.343 ( 4.645 3.772 -1.675) 6.214 5.436 ( -2.225 -2.270 -0.757) 3.267 5.575 ( -3.723 0.025 1.768) 4.122 5.597 ( -0.182 1.380 -1.831) 2.300 5.638 ( -6.228 3.643 -3.806) 8.158 5.823 ( -3.954 -2.806 -0.825) 4.918 5.988 ( 0.308 -1.374 0.298) 1.439 5.997 ( -3.060 -0.933 0.228) 3.207 6.096 ( -2.497 2.288 -2.417) 4.161 6.265 ( -3.619 -0.702 6.281) 7.283 6.376 ( 2.179 -0.224 4.970) 5.431 6.459 ( -0.608 0.938 -0.233) 1.142 6.683 ( -6.175 -7.897 -7.765) 12.680 6.820 ( -6.562 -3.891 -5.778) 9.570 7.056 ( 2.098 -0.298 5.110) 5.532 7.121 ( -0.963 -4.043 10.459) 11.255 7.223 ( -3.889 -0.480 2.191) 4.489 7.303 ( -3.400 4.061 -0.544) 5.324 7.358 ( 0.655 -0.179 3.416) 3.483 7.457 ( -1.998 2.631 -1.694) 3.713 7.514 ( 0.706 4.310 -0.096) 4.368 7.674 ( -2.677 -1.525 2.266) 3.824 7.854 ( -1.886 0.122 2.032) 2.775 8.026 ( -2.683 -0.726 -1.440) 3.131 8.052 ( 0.826 0.955 0.153) 1.272 8.157 ( -2.150 -1.530 -0.288) 2.655 8.207 ( -3.598 0.893 -3.299) 4.962 8.285 ( 2.749 -0.678 -16.805) 17.041 8.484 ( -6.084 -0.631 9.686) 11.456 8.626 ( -1.461 -1.903 -7.432) 7.810 8.800 ( 1.213 -3.115 9.035) 9.634 8.994 ( 4.209 -6.165 -4.451) 8.691 9.176 ( -3.729 -0.827 4.198) 5.676 9.241 ( 3.196 -0.019 -4.604) 5.605 9.308 ( 2.240 4.956 5.946) 8.058 9.512 ( 2.826 2.709 -2.362) 4.572 9.696 ( -7.892 -1.804 2.204) 8.390 9.930 ( -8.268 -0.480 -10.716) 13.543 10.110 ( -0.222 -3.246 6.788) 7.527 10.166 ( 0.746 -0.221 0.240) 0.814 10.500 ( -4.326 1.718 5.369) 7.106 10.641 ( -0.112 0.757 -10.791) 10.818 10.665 ( -0.048 -0.652 4.009) 4.062 10.697 ( -1.303 0.602 1.417) 2.016 10.986 ( -1.781 -1.134 0.659) 2.212 11.050 ( -1.129 -0.800 -4.267) 4.485 11.304 ( 1.390 0.975 -1.962) 2.595 11.382 ( -4.708 2.372 6.023) 8.004 11.544 ( 3.537 3.429 8.283) 9.637 11.670 ( 2.294 -1.486 0.143) 2.737 11.758 ( 2.209 0.389 -6.487) 6.864 11.896 ( 0.190 -1.901 1.152) 2.231 12.184 ( -4.702 -2.212 -2.031) 5.579 12.234 ( -7.141 -2.000 0.164) 7.418 12.423 ( 2.304 0.700 -5.606) 6.101 12.592 ( 4.153 1.387 8.190) 9.287 12.640 ( -3.561 -2.227 -5.493) 6.915 12.894 ( 5.897 4.884 -1.999) 7.914 13.058 ( -4.505 -2.308 7.390) 8.957 13.244 ( 0.630 -3.053 -2.287) 3.866 13.456 ( -0.630 3.500 1.227) 3.761 13.522 ( 2.377 -0.602 0.325) 2.474 13.565 ( 0.131 0.779 -0.946) 1.232 13.656 ( -2.013 0.766 -2.855) 3.577 13.769 ( -0.467 2.608 2.974) 3.983 13.849 ( -1.102 -0.288 -2.366) 2.626 15.255 ( 1.088 4.369 2.159) 4.993 15.274 ( 0.078 5.054 -1.324) 5.225 15.626 ( -0.616 -1.554 -1.540) 2.272 15.684 ( -4.411 -1.341 1.433) 4.828 16.562 ( 6.036 -1.478 3.364) 7.066 16.681 ( 5.502 -0.734 -3.219) 6.417 17.368 ( -4.438 -2.373 -3.635) 6.208 17.408 ( -4.422 -2.714 3.693) 6.368 19.098 ( 14.147 -0.573 -2.072) 14.309 19.133 ( 6.173 0.393 2.783) 6.783 19.753 ( -10.493 1.235 -0.334) 10.571 19.843 ( -5.943 1.096 -0.244) 6.048 21.505 ( 5.010 2.729 -5.487) 7.916 21.587 ( 4.604 2.412 6.185) 8.079 21.877 ( -15.952 0.903 -1.581) 16.055 22.071 ( -10.324 0.163 -0.138) 10.326 22.691 ( 4.914 -2.226 1.994) 5.751 22.831 ( 4.320 0.061 -1.827) 4.690 23.056 ( -8.035 -6.218 -2.402) 10.440 23.098 ( -7.995 -3.665 1.408) 8.907 24.143 ( 3.736 1.706 0.413) 4.127 24.395 ( -3.833 0.800 -1.005) 4.043 24.625 ( -3.754 -3.843 -0.317) 5.382 24.770 ( -8.024 0.098 1.835) 8.232 25.754 ( 3.242 -0.037 -2.267) 3.956 25.811 ( -1.494 2.553 2.004) 3.573 25.890 ( -1.599 -1.304 1.219) 2.397 26.019 ( -4.007 -0.048 -1.045) 4.142 26.886 ( 1.087 -0.098 1.529) 1.879 26.914 ( 0.422 -1.303 -1.508) 2.037 27.056 ( 0.011 1.390 -0.603) 1.515 27.117 ( -3.432 1.465 0.786) 3.814 27.852 ( 2.580 -7.498 1.561) 8.082 27.965 ( -0.914 -6.903 -1.402) 7.103 28.183 ( -0.215 5.413 0.499) 5.440 28.224 ( -1.157 4.527 -0.360) 4.687 ======================= Grid point 94 (40/64) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 4.958 -6.288 3.475) 8.729 2.256 ( -3.911 -6.142 -0.203) 7.284 2.336 ( -2.008 -4.175 1.897) 5.006 2.375 ( -9.168 -1.940 5.090) 10.664 2.414 ( 2.899 -10.928 0.693) 11.327 2.509 ( -0.431 -2.393 -4.731) 5.320 2.649 ( -0.011 0.638 0.426) 0.767 2.741 ( 1.799 1.760 -5.246) 5.818 2.887 ( -0.867 -0.618 -0.188) 1.082 2.894 ( -3.266 2.132 -0.802) 3.982 2.934 ( 1.348 -4.024 4.431) 6.135 3.007 ( 0.630 -3.175 -2.501) 4.091 3.173 ( -3.875 0.077 2.656) 4.699 3.182 ( 1.216 6.273 -1.572) 6.580 3.211 ( -6.065 2.605 2.218) 6.963 3.288 ( 3.370 1.571 4.003) 5.464 3.348 ( 5.881 2.017 0.250) 6.222 3.396 ( 2.913 -2.332 2.676) 4.591 3.451 ( 5.677 -1.341 -4.737) 7.514 3.608 ( 4.157 3.692 -9.548) 11.049 3.731 ( -0.806 1.058 2.094) 2.481 3.776 ( -3.192 3.779 -1.048) 5.056 3.945 ( 2.686 3.634 7.452) 8.715 4.003 ( -0.319 -0.207 3.428) 3.449 4.088 ( -1.459 -0.418 -2.951) 3.319 4.123 ( -5.478 6.598 -5.925) 10.424 4.276 ( -0.230 -0.423 5.275) 5.296 4.291 ( 1.192 0.577 3.990) 4.205 4.386 ( 2.284 0.814 -4.685) 5.276 4.441 ( 0.805 -5.218 -6.522) 8.391 4.525 ( -4.793 -2.048 0.186) 5.216 4.579 ( 5.252 0.206 -3.986) 6.597 4.640 ( 0.510 0.757 1.696) 1.926 4.700 ( 3.240 -0.088 -3.168) 4.533 4.774 ( -9.236 1.470 6.395) 11.330 4.856 ( 1.883 3.069 -1.592) 3.937 4.891 ( -0.887 1.067 2.825) 3.148 4.946 ( -0.401 2.131 -0.903) 2.349 5.006 ( 3.728 0.693 -1.284) 4.003 5.069 ( -1.236 3.668 -4.688) 6.079 5.263 ( 1.367 -0.419 3.134) 3.445 5.318 ( -0.415 0.115 -1.149) 1.227 5.422 ( -1.030 -0.085 4.876) 4.984 5.444 ( -0.693 2.948 4.331) 5.285 5.490 ( 0.713 2.488 -2.096) 3.330 5.619 ( 4.688 0.961 -5.045) 6.953 5.671 ( 8.104 2.200 -1.979) 8.627 5.720 ( -5.463 -0.717 -2.491) 6.047 5.924 ( -3.373 -1.513 2.826) 4.653 5.995 ( 0.792 -0.219 -2.339) 2.479 6.096 ( 0.833 -2.260 5.813) 6.292 6.227 ( -2.595 0.164 3.019) 3.984 6.384 ( -1.393 0.333 0.140) 1.439 6.434 ( -1.906 -4.712 -11.076) 12.186 6.516 ( -0.659 1.832 7.875) 8.112 6.737 ( -1.635 -4.048 -8.088) 9.191 7.081 ( -0.034 -0.281 4.301) 4.311 7.141 ( -1.148 -1.171 -0.170) 1.649 7.202 ( -4.004 1.152 7.858) 8.894 7.293 ( 4.926 -1.373 10.139) 11.356 7.387 ( 0.446 1.206 3.787) 3.999 7.469 ( 2.715 -0.440 -5.478) 6.129 7.559 ( 3.029 1.182 2.778) 4.277 7.616 ( -2.839 -0.734 -1.992) 3.545 7.888 ( 3.529 -0.146 0.866) 3.637 7.938 ( -3.670 0.380 -3.444) 5.047 8.054 ( -1.363 3.483 -0.344) 3.756 8.114 ( -0.806 -0.537 1.182) 1.528 8.140 ( -1.126 -2.436 -1.654) 3.152 8.268 ( -0.159 0.394 -13.773) 13.779 8.434 ( -1.890 -0.173 7.367) 7.608 8.632 ( 4.679 -1.972 -8.586) 9.975 8.855 ( 1.652 -2.928 6.565) 7.375 9.024 ( 0.818 -3.315 -6.832) 7.638 9.135 ( -2.015 -1.330 6.721) 7.142 9.263 ( 1.811 -2.461 -3.329) 4.519 9.444 ( 5.326 2.864 8.305) 10.273 9.528 ( -7.749 -3.004 3.085) 8.865 9.600 ( 5.338 3.873 -0.769) 6.639 9.736 ( -5.482 2.725 -13.001) 14.371 10.124 ( -0.790 -1.890 4.504) 4.948 10.203 ( 3.263 -0.205 -1.759) 3.713 10.415 ( -5.003 1.478 5.339) 7.464 10.595 ( -2.930 -1.338 4.726) 5.719 10.640 ( 1.426 1.958 -4.885) 5.453 10.777 ( 5.795 0.962 -6.938) 9.091 10.971 ( -1.495 -3.427 2.509) 4.503 11.044 ( 2.930 -2.262 -4.450) 5.788 11.281 ( -5.174 1.544 5.880) 7.983 11.373 ( 4.031 1.142 -0.675) 4.244 11.568 ( -3.299 1.056 8.848) 9.501 11.744 ( 3.502 -1.740 -0.615) 3.958 11.777 ( 1.141 0.178 1.068) 1.573 11.920 ( -0.802 -0.467 -7.382) 7.440 12.098 ( -3.275 -1.638 1.407) 3.923 12.128 ( 0.741 -0.773 -0.749) 1.307 12.423 ( -6.826 4.345 -1.438) 8.218 12.467 ( 2.711 2.837 -2.910) 4.886 12.839 ( 8.867 -5.632 7.058) 12.655 12.901 ( -5.237 -4.185 -0.374) 6.714 13.078 ( 2.854 4.479 2.800) 6.004 13.215 ( 0.481 -0.717 -7.603) 7.652 13.452 ( -1.264 0.719 4.628) 4.851 13.515 ( -2.055 1.261 2.423) 3.419 13.590 ( 2.836 2.618 -4.050) 5.594 13.614 ( -2.186 2.251 -4.185) 5.231 13.768 ( -0.593 0.459 3.912) 3.984 13.838 ( 0.785 -0.588 -2.172) 2.383 15.255 ( -0.914 3.636 1.981) 4.240 15.295 ( 1.555 5.202 -1.226) 5.567 15.609 ( -2.387 -1.687 1.359) 3.223 15.645 ( 2.256 -0.863 -1.590) 2.892 16.632 ( -1.162 0.077 4.352) 4.505 16.737 ( 0.805 -1.405 -4.094) 4.403 17.322 ( -3.899 -2.977 1.293) 5.073 17.348 ( 3.488 -3.108 -0.810) 4.742 19.137 ( -3.455 1.261 7.178) 8.065 19.312 ( 3.334 -1.720 -6.912) 7.865 19.673 ( 3.177 1.537 2.409) 4.272 19.741 ( -2.851 0.927 -3.240) 4.414 21.574 ( -9.496 2.974 0.740) 9.978 21.625 ( 8.830 1.416 -3.010) 9.436 21.792 ( 9.401 4.047 3.595) 10.848 21.881 ( -7.310 3.118 -3.136) 8.543 22.806 ( 0.804 -4.409 4.372) 6.261 22.889 ( -3.668 -5.466 -1.863) 6.841 22.924 ( -3.599 -3.686 1.420) 5.344 22.977 ( 5.095 -1.800 -3.343) 6.354 24.230 ( 3.621 3.455 2.447) 5.571 24.293 ( -3.528 2.543 -2.752) 5.147 24.626 ( -1.997 -2.466 2.203) 3.863 24.663 ( 1.849 -3.153 -0.891) 3.762 25.779 ( -2.166 0.487 0.278) 2.237 25.796 ( 1.987 0.034 -1.161) 2.302 25.902 ( 1.593 -0.248 2.553) 3.019 25.956 ( -1.204 -0.304 -1.998) 2.352 26.893 ( -0.798 -1.164 1.129) 1.807 26.920 ( 0.507 -1.876 -1.085) 2.226 27.068 ( -1.182 1.679 0.221) 2.066 27.071 ( 1.403 1.923 0.026) 2.381 27.888 ( -0.100 -6.752 2.350) 7.150 27.946 ( 0.192 -7.098 -2.292) 7.461 28.183 ( -0.028 5.393 1.026) 5.490 28.206 ( -0.027 4.811 -0.867) 4.889 ======================= Grid point 95 (41/64) ======================= q-point: (-0.40 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -18.219 -2.888 -0.174) 18.448 2.175 ( -11.118 -1.475 -1.571) 11.325 2.225 ( -12.825 -3.555 1.134) 13.357 2.321 ( -2.676 -0.049 1.206) 2.936 2.383 ( -4.936 -7.731 4.079) 10.038 2.401 ( -5.814 -6.910 0.568) 9.049 2.596 ( -7.054 -4.338 4.274) 9.319 2.669 ( -4.821 2.594 -0.382) 5.488 2.719 ( -16.993 -1.075 0.409) 17.032 2.810 ( 0.348 -2.370 -6.484) 6.913 2.915 ( -0.501 -2.981 1.303) 3.292 2.969 ( -2.480 -1.665 -1.089) 3.179 3.057 ( -3.397 3.972 -1.268) 5.379 3.123 ( -4.992 5.748 2.357) 7.970 3.253 ( -4.320 6.259 1.812) 7.818 3.351 ( -6.051 -3.443 -1.821) 7.196 3.364 ( 4.681 -0.411 1.466) 4.922 3.438 ( 6.096 -1.057 3.090) 6.916 3.588 ( 5.927 1.162 -4.418) 7.483 3.665 ( 9.834 -0.898 -7.254) 12.253 3.816 ( 0.806 -2.000 3.885) 4.443 3.832 ( 3.095 2.041 -0.136) 3.710 3.925 ( -6.634 -0.707 0.011) 6.672 4.000 ( -1.070 4.219 -1.423) 4.579 4.048 ( -0.889 2.394 2.816) 3.802 4.104 ( 3.373 3.662 6.565) 8.239 4.250 ( -6.545 -1.824 -1.363) 6.929 4.283 ( -1.567 -1.566 6.924) 7.270 4.333 ( -5.834 -4.182 -2.318) 7.543 4.400 ( -1.224 -1.352 -6.224) 6.486 4.488 ( -11.079 4.266 2.749) 12.186 4.521 ( 4.078 1.011 -3.810) 5.672 4.618 ( -2.034 0.585 2.293) 3.120 4.638 ( 0.644 -0.338 -0.530) 0.900 4.787 ( -3.082 9.255 -5.059) 10.989 4.834 ( -1.147 1.012 -0.164) 1.539 4.869 ( -2.324 1.992 -0.682) 3.136 4.919 ( 0.964 -0.031 -3.231) 3.372 5.027 ( -1.658 4.457 1.259) 4.919 5.125 ( 6.400 -1.832 -0.577) 6.682 5.287 ( -0.642 1.660 -1.102) 2.093 5.303 ( -2.208 -0.767 0.530) 2.396 5.331 ( -4.771 0.783 -0.541) 4.865 5.446 ( 1.513 -0.317 -1.035) 1.860 5.510 ( 0.446 1.328 1.553) 2.091 5.634 ( 1.786 6.276 -1.326) 6.658 5.706 ( 4.984 -3.415 -9.168) 10.980 5.812 ( 3.442 -0.066 0.272) 3.454 5.931 ( 2.532 0.723 4.496) 5.211 6.012 ( 1.357 0.092 -1.073) 1.732 6.070 ( -3.645 -3.370 3.012) 5.806 6.335 ( 3.138 -2.882 4.079) 5.898 6.357 ( 5.750 -0.299 -0.602) 5.789 6.468 ( 5.490 -0.569 -1.966) 5.859 6.557 ( 0.130 -1.236 6.382) 6.502 6.717 ( 3.140 -1.686 -1.672) 3.937 7.098 ( -0.843 -0.013 8.223) 8.266 7.116 ( -0.645 0.320 -1.241) 1.435 7.192 ( 1.240 1.043 6.501) 6.700 7.375 ( -1.303 -1.946 -6.397) 6.813 7.402 ( 3.208 -3.007 0.098) 4.398 7.490 ( 0.447 -0.225 -1.926) 1.990 7.585 ( 1.701 2.120 -2.577) 3.746 7.661 ( 4.552 -0.126 8.498) 9.641 7.897 ( 1.725 0.650 -1.634) 2.464 7.938 ( -1.371 -0.621 2.140) 2.617 8.042 ( 1.786 1.832 -1.695) 3.069 8.130 ( 1.453 -3.012 -0.590) 3.396 8.184 ( 4.313 -1.300 -1.906) 4.891 8.202 ( 0.725 2.775 -7.051) 7.612 8.447 ( 0.532 0.396 7.090) 7.121 8.719 ( 6.249 -1.945 -8.737) 10.917 8.898 ( -0.116 -5.592 2.636) 6.183 9.001 ( -0.300 -1.548 -6.754) 6.935 9.135 ( -0.322 -1.001 4.042) 4.177 9.261 ( -2.456 -2.848 1.585) 4.081 9.382 ( -4.194 1.239 -0.203) 4.378 9.502 ( -2.019 6.823 -1.968) 7.383 9.710 ( 5.779 -1.273 -2.266) 6.337 9.749 ( 7.971 1.627 3.894) 9.020 10.120 ( -0.497 -0.827 3.252) 3.392 10.274 ( 4.407 -2.105 -5.581) 7.417 10.370 ( -1.098 1.849 6.948) 7.273 10.576 ( -0.802 -2.432 4.873) 5.505 10.670 ( 2.150 2.778 -2.864) 4.532 10.860 ( 4.979 2.056 -7.867) 9.534 10.942 ( -0.883 -3.120 0.921) 3.371 11.099 ( 2.673 -0.632 -4.234) 5.047 11.248 ( 1.588 -0.382 2.784) 3.228 11.438 ( 0.695 -1.733 2.985) 3.521 11.525 ( -2.561 0.772 5.081) 5.742 11.731 ( -7.574 1.707 -4.026) 8.746 11.797 ( -0.296 -0.172 7.786) 7.793 11.831 ( 2.164 -1.394 -8.830) 9.197 12.141 ( 4.007 -0.550 0.678) 4.101 12.220 ( 6.930 -0.339 0.873) 6.993 12.312 ( -4.026 0.835 2.765) 4.955 12.552 ( 5.203 3.222 1.495) 6.300 12.757 ( -5.928 -3.725 -5.595) 8.962 12.909 ( -5.248 2.444 -1.316) 5.937 13.158 ( 7.317 -2.738 4.781) 9.160 13.247 ( 0.319 -1.703 -6.034) 6.278 13.436 ( -1.557 -0.212 1.239) 2.001 13.475 ( -1.079 0.483 4.113) 4.279 13.559 ( 0.547 4.865 -1.136) 5.026 13.648 ( 1.894 1.950 -2.189) 3.490 13.771 ( 0.003 -0.012 3.167) 3.167 13.848 ( 0.501 0.429 -2.418) 2.506 15.236 ( -1.423 2.811 1.211) 3.375 15.316 ( 0.724 6.397 -1.721) 6.664 15.597 ( 1.327 -1.875 0.453) 2.341 15.709 ( 3.737 -0.996 -0.297) 3.879 16.543 ( -8.287 -1.295 3.663) 9.152 16.691 ( -3.677 -1.319 -2.994) 4.921 17.301 ( 1.990 -1.362 1.525) 2.853 17.461 ( 6.073 -3.289 -0.725) 6.944 18.974 ( -15.907 2.385 3.517) 16.465 19.274 ( -3.015 -2.817 -3.650) 5.509 19.772 ( 8.160 1.287 -1.881) 8.472 19.820 ( 8.364 1.073 1.478) 8.562 21.428 ( -5.124 3.604 0.806) 6.316 21.746 ( -3.884 2.906 -5.064) 7.012 21.857 ( 14.519 -1.292 -0.348) 14.580 22.045 ( 12.739 1.013 1.556) 12.873 22.690 ( -6.221 -0.786 3.179) 7.031 22.785 ( -4.965 -1.681 -0.574) 5.273 23.020 ( 7.724 -6.046 0.296) 9.814 23.133 ( 8.104 -3.499 -1.042) 8.888 24.197 ( -2.649 0.376 -3.314) 4.260 24.338 ( 2.501 2.534 2.923) 4.606 24.608 ( 3.077 -2.314 0.705) 3.914 24.791 ( 8.499 -1.746 0.472) 8.689 25.722 ( -3.610 0.806 0.232) 3.706 25.838 ( 2.436 0.909 -0.367) 2.626 25.934 ( 1.700 -1.269 -0.808) 2.270 25.987 ( 3.922 0.559 0.446) 3.987 26.873 ( -1.275 -0.764 1.592) 2.178 26.917 ( -0.697 -0.474 -1.049) 1.346 27.057 ( 0.106 1.288 -0.516) 1.392 27.124 ( 3.551 1.610 0.262) 3.908 27.862 ( -2.693 -7.850 1.239) 8.391 27.960 ( 1.297 -6.705 -1.334) 6.958 28.185 ( -0.059 5.439 0.443) 5.457 28.221 ( 1.323 4.534 -0.246) 4.730 ======================= Grid point 96 (42/64) ======================= q-point: (-0.30 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -24.571 -1.589 0.331) 24.625 1.871 ( -14.539 1.191 1.264) 14.642 1.918 ( -12.902 0.233 -2.074) 13.070 2.061 ( -23.710 2.414 3.135) 24.038 2.145 ( -17.395 2.221 -7.165) 18.944 2.312 ( -1.894 -7.196 2.341) 7.801 2.387 ( -8.224 -1.146 -3.152) 8.882 2.507 ( -5.772 -4.187 3.324) 7.867 2.743 ( 6.704 -3.825 5.828) 9.672 2.846 ( 3.344 -2.806 -7.631) 8.792 2.878 ( -5.310 -2.332 -1.349) 5.954 2.908 ( -2.751 -0.476 1.697) 3.267 3.001 ( -5.370 2.944 0.980) 6.202 3.011 ( -1.328 1.945 2.143) 3.184 3.172 ( -2.913 1.069 2.589) 4.042 3.232 ( -6.053 -1.841 1.621) 6.531 3.442 ( -1.514 -2.627 -1.603) 3.430 3.497 ( -8.670 -2.311 4.906) 10.227 3.583 ( -6.415 -3.988 -2.201) 7.868 3.692 ( -3.625 -1.101 1.783) 4.187 3.735 ( -7.930 -5.454 4.985) 10.839 3.776 ( -1.658 2.233 -1.575) 3.196 3.860 ( 0.607 0.718 -2.273) 2.460 3.945 ( -5.931 0.772 -0.322) 5.989 3.978 ( -2.508 0.636 -2.199) 3.396 4.136 ( -2.574 -0.696 0.048) 2.666 4.176 ( -3.093 5.309 5.615) 8.324 4.230 ( -3.318 1.679 5.546) 6.677 4.294 ( 0.803 1.117 -6.188) 6.339 4.316 ( -5.955 3.091 -2.359) 7.112 4.409 ( 4.350 -0.858 4.995) 6.679 4.542 ( -3.428 -0.425 -5.460) 6.461 4.568 ( -6.613 0.408 -0.968) 6.695 4.585 ( -1.653 1.981 3.638) 4.461 4.701 ( -6.555 8.803 -0.107) 10.976 4.803 ( 4.460 1.815 -8.049) 9.379 4.818 ( -3.784 2.999 -0.530) 4.857 4.935 ( 2.840 2.546 0.069) 3.815 5.014 ( 1.897 0.206 -6.348) 6.629 5.217 ( -0.252 -4.504 0.777) 4.577 5.243 ( -2.429 1.060 -5.704) 6.289 5.271 ( 0.023 3.618 2.987) 4.691 5.314 ( 5.365 -0.920 -0.248) 5.449 5.480 ( 1.878 -1.405 -2.000) 3.082 5.593 ( 2.373 1.089 2.417) 3.558 5.672 ( 1.764 3.764 1.704) 4.492 5.784 ( 3.441 -4.742 -4.585) 7.439 5.852 ( 1.784 2.798 -0.417) 3.345 5.937 ( -1.554 0.308 3.338) 3.695 6.046 ( 2.624 0.694 2.650) 3.793 6.147 ( 9.698 2.834 2.647) 10.444 6.316 ( -2.767 -2.632 -0.574) 3.861 6.397 ( 0.156 -4.971 -3.779) 6.246 6.578 ( 5.010 0.631 -3.962) 6.419 6.626 ( 1.072 -0.649 3.778) 3.980 6.850 ( 6.856 -3.850 8.189) 11.353 7.107 ( -0.404 3.212 7.302) 7.988 7.123 ( 0.806 0.238 -4.327) 4.407 7.284 ( 5.535 -2.448 6.277) 8.719 7.332 ( 0.370 -3.118 -8.796) 9.340 7.449 ( 2.987 -1.542 -4.879) 5.925 7.505 ( 1.740 2.587 2.141) 3.782 7.655 ( 5.705 1.497 -1.053) 5.991 7.796 ( 5.544 -0.118 8.930) 10.511 7.850 ( -7.313 -2.990 2.447) 8.271 7.949 ( 2.135 1.154 -2.183) 3.264 8.103 ( 5.499 -0.082 -3.656) 6.604 8.154 ( 1.745 -1.235 2.478) 3.273 8.232 ( 5.984 -0.664 -4.164) 7.320 8.333 ( 7.078 -1.196 -3.276) 7.891 8.525 ( 4.778 0.862 9.029) 10.251 8.810 ( 4.999 -2.075 -5.304) 7.578 8.849 ( -4.090 -8.301 -2.645) 9.624 8.957 ( -1.707 -1.997 -6.478) 6.991 9.123 ( -1.317 1.048 2.397) 2.928 9.249 ( 0.604 -1.448 6.890) 7.066 9.346 ( 0.025 1.238 -1.807) 2.191 9.478 ( 1.619 12.423 -6.441) 14.087 9.785 ( 0.484 -4.014 3.002) 5.036 9.942 ( 7.345 0.316 6.660) 9.920 10.145 ( 2.420 -1.465 1.677) 3.289 10.320 ( 2.939 -5.864 -8.744) 10.931 10.420 ( 3.134 2.778 6.022) 7.335 10.597 ( 1.873 -0.980 2.546) 3.310 10.679 ( -0.601 3.047 -1.266) 3.354 10.921 ( 3.107 1.913 -3.888) 5.332 10.962 ( 1.877 -2.111 1.500) 3.198 11.153 ( 4.857 0.988 -3.431) 6.028 11.314 ( 2.856 -2.762 -1.742) 4.338 11.436 ( -1.600 -0.083 4.455) 4.735 11.514 ( 0.590 0.343 5.349) 5.392 11.548 ( -7.000 3.558 -5.290) 9.468 11.832 ( 1.729 -0.993 2.569) 3.252 11.878 ( 3.379 0.615 -4.472) 5.639 12.200 ( 0.650 -1.681 2.352) 2.963 12.290 ( 1.962 -0.519 2.838) 3.489 12.351 ( 4.734 -1.073 0.289) 4.863 12.558 ( -5.369 -6.803 -4.426) 9.731 12.725 ( 1.383 5.084 -2.761) 5.948 12.795 ( -1.892 4.967 1.744) 5.594 13.130 ( -6.909 -2.688 0.303) 7.420 13.308 ( 3.013 -1.675 -1.494) 3.758 13.391 ( -1.460 0.028 1.623) 2.183 13.521 ( 2.038 -3.574 -0.299) 4.125 13.650 ( 6.480 3.598 4.827) 8.845 13.661 ( 3.432 1.285 -4.912) 6.128 13.789 ( -0.056 0.710 1.769) 1.906 13.838 ( -0.371 1.996 -0.692) 2.144 15.209 ( -1.608 3.256 0.955) 3.755 15.304 ( -1.270 7.618 -2.089) 8.001 15.658 ( 4.084 -2.426 -0.866) 4.828 15.782 ( 3.257 -1.336 1.297) 3.752 16.366 ( -9.551 -2.859 3.988) 10.738 16.584 ( -5.411 -1.771 -3.305) 6.584 17.404 ( 6.557 -0.440 3.455) 7.424 17.546 ( 2.621 -2.203 -2.275) 4.111 18.511 ( -30.107 3.154 0.653) 30.279 19.175 ( -6.689 -8.021 -2.467) 10.732 19.962 ( 6.697 2.246 -0.774) 7.106 20.085 ( 20.938 0.982 0.113) 20.961 21.351 ( -3.011 4.058 0.222) 5.058 21.679 ( -1.146 2.176 -5.427) 5.958 22.179 ( 13.606 -10.349 4.827) 17.763 22.269 ( 8.825 -7.455 -1.416) 11.639 22.667 ( 4.075 4.312 -0.287) 5.940 22.756 ( 4.046 6.390 2.479) 7.960 23.161 ( 5.782 -6.446 0.310) 8.665 23.275 ( 5.989 -2.770 -0.688) 6.635 24.134 ( -2.168 -0.501 -5.964) 6.365 24.349 ( -2.262 -5.177 4.951) 7.512 24.764 ( 10.069 3.110 1.500) 10.644 25.000 ( 12.022 -3.267 0.274) 12.461 25.635 ( -4.914 1.950 0.258) 5.293 25.889 ( 2.725 3.520 -0.189) 4.456 25.992 ( 4.448 -2.720 -2.055) 5.604 26.082 ( 4.898 0.654 1.111) 5.065 26.864 ( -0.340 0.280 3.107) 3.138 26.885 ( -1.674 1.377 -1.634) 2.714 27.056 ( -0.261 1.970 -1.321) 2.386 27.210 ( 4.450 1.756 0.346) 4.796 27.796 ( -4.112 -9.686 0.361) 10.529 27.976 ( 0.652 -5.837 -0.881) 5.939 28.181 ( -0.675 4.771 0.150) 4.821 28.244 ( 0.725 3.882 0.042) 3.949 ======================= Grid point 97 (43/64) ======================= q-point: (-0.20 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -21.793 3.482 9.874) 24.177 1.454 ( -26.179 7.986 4.612) 27.756 1.665 ( -14.208 1.925 -0.460) 14.345 1.736 ( -9.815 3.786 5.456) 11.851 1.894 ( 2.043 4.673 -17.199) 17.939 2.193 ( -16.499 -6.883 -9.304) 20.154 2.279 ( -1.730 -1.290 -7.365) 7.675 2.312 ( -12.359 0.678 0.897) 12.410 2.639 ( -9.300 -0.720 4.481) 10.349 2.788 ( -2.716 -0.999 -0.049) 2.894 2.839 ( -2.093 -6.096 0.867) 6.503 2.896 ( -4.245 -2.357 -2.712) 5.561 2.921 ( -2.533 -4.884 2.020) 5.860 3.036 ( -2.892 -4.945 2.290) 6.169 3.130 ( -8.707 -1.886 7.060) 11.368 3.159 ( 1.476 -0.489 5.257) 5.482 3.241 ( 0.870 -1.380 12.841) 12.944 3.428 ( -7.970 -4.012 -5.325) 10.391 3.447 ( -4.586 0.271 6.204) 7.720 3.603 ( -5.053 -0.667 0.939) 5.182 3.648 ( -6.075 -5.109 2.723) 8.392 3.699 ( -4.257 -1.840 -3.603) 5.873 3.786 ( -3.738 -0.506 -7.598) 8.483 3.885 ( -6.368 2.155 0.139) 6.725 3.918 ( -1.511 -0.417 3.902) 4.205 4.031 ( -6.145 0.819 -2.226) 6.586 4.075 ( -8.330 5.068 1.644) 9.888 4.121 ( -0.290 3.474 -1.262) 3.707 4.270 ( -2.179 2.959 3.059) 4.781 4.309 ( 1.010 0.562 -7.593) 7.680 4.375 ( -5.562 2.639 -4.918) 7.880 4.462 ( -1.797 3.262 -2.781) 4.647 4.514 ( -0.276 -1.824 2.232) 2.895 4.567 ( 0.558 1.946 3.436) 3.987 4.664 ( 2.508 3.520 -3.445) 5.527 4.738 ( -0.673 4.014 -0.304) 4.081 4.881 ( -5.474 3.300 2.277) 6.785 4.922 ( 1.809 2.538 1.825) 3.611 5.062 ( 2.733 -3.450 -6.947) 8.224 5.173 ( -2.959 2.162 -1.457) 3.944 5.221 ( 1.960 -4.220 -2.956) 5.512 5.303 ( 2.934 0.640 2.244) 3.749 5.440 ( 3.293 -1.769 5.453) 6.611 5.499 ( 1.077 1.014 -3.621) 3.912 5.583 ( -1.250 0.329 0.778) 1.508 5.708 ( 2.030 -0.497 -4.226) 4.714 5.781 ( -0.218 -1.420 0.320) 1.472 5.812 ( -2.884 1.410 -0.507) 3.250 6.029 ( 3.751 2.653 3.452) 5.747 6.154 ( 2.609 -1.043 3.793) 4.720 6.225 ( -1.251 2.673 -0.362) 2.974 6.362 ( 11.160 0.055 0.995) 11.205 6.511 ( 7.572 -1.273 0.901) 7.731 6.578 ( -4.578 0.264 0.790) 4.653 6.649 ( 3.835 0.177 -4.841) 6.179 6.956 ( 1.669 -3.517 0.323) 3.906 7.038 ( -7.980 1.935 -0.755) 8.246 7.131 ( 1.456 1.483 -0.038) 2.079 7.307 ( -1.641 -3.278 -4.614) 5.893 7.409 ( 3.321 -4.390 0.441) 5.523 7.529 ( 5.775 2.321 -1.964) 6.526 7.608 ( 7.437 -1.036 4.286) 8.646 7.736 ( -0.898 -0.889 3.789) 3.994 7.777 ( 3.982 -0.805 1.527) 4.340 7.930 ( 3.577 0.183 4.981) 6.135 7.995 ( 3.591 -0.386 -0.594) 3.660 8.186 ( 1.703 -0.953 2.918) 3.511 8.220 ( 4.746 -2.756 0.796) 5.545 8.362 ( 4.129 -5.883 -6.408) 9.629 8.426 ( 4.798 -6.227 -4.797) 9.209 8.655 ( 2.812 -1.854 6.861) 7.643 8.776 ( 0.996 -5.681 -5.823) 8.196 8.859 ( 0.087 -1.207 -4.627) 4.782 8.917 ( 1.798 -0.401 -3.222) 3.711 9.142 ( 1.766 1.230 5.400) 5.813 9.296 ( 1.085 0.297 5.741) 5.850 9.358 ( 1.661 1.388 -0.680) 2.269 9.498 ( 2.866 12.803 -9.933) 16.456 9.766 ( -3.275 0.483 9.801) 10.345 10.070 ( 3.529 -0.835 6.005) 7.015 10.178 ( -0.316 -5.513 -4.145) 6.904 10.334 ( -1.224 -2.607 -1.632) 3.310 10.550 ( 9.234 0.743 -0.070) 9.264 10.648 ( 1.558 4.654 -1.699) 5.194 10.678 ( 2.276 -1.432 2.420) 3.617 10.949 ( 0.585 0.958 -2.170) 2.443 10.996 ( 0.236 -3.714 3.604) 5.181 11.279 ( 7.811 2.447 0.956) 8.241 11.317 ( -1.258 -3.186 -3.820) 5.131 11.409 ( -1.878 3.383 1.710) 4.231 11.442 ( -1.467 4.566 -3.179) 5.754 11.626 ( 7.706 -1.584 7.513) 10.878 11.854 ( 0.473 -0.979 -3.495) 3.660 11.927 ( 2.184 1.233 0.469) 2.551 12.265 ( 6.384 -2.654 1.788) 7.141 12.365 ( 3.558 -0.960 -0.118) 3.687 12.420 ( 0.877 -0.390 0.239) 0.989 12.445 ( -1.739 -3.608 -2.259) 4.599 12.669 ( -0.896 2.614 -7.408) 7.907 12.783 ( -4.406 2.414 4.592) 6.807 12.997 ( -7.527 -4.850 8.124) 12.090 13.268 ( -5.567 -3.005 -6.456) 9.039 13.413 ( 0.366 2.400 -3.043) 3.893 13.537 ( 3.302 -4.903 1.974) 6.232 13.753 ( 1.882 1.515 3.215) 4.022 13.778 ( 4.004 2.152 -3.406) 5.680 13.809 ( 4.588 2.867 -2.914) 6.145 13.887 ( 6.447 1.140 4.816) 8.127 15.178 ( -1.853 4.985 1.007) 5.413 15.247 ( -3.621 8.520 -1.925) 9.456 15.731 ( 3.445 -3.359 -2.810) 5.572 15.853 ( 2.957 -1.231 3.466) 4.719 16.207 ( -7.533 -4.215 4.835) 9.894 16.456 ( -5.603 -2.842 -5.049) 8.060 17.554 ( 5.427 -1.199 3.198) 6.412 17.565 ( 0.240 -0.726 -1.544) 1.722 17.783 ( -39.758 2.434 0.030) 39.832 18.874 ( -24.796 -22.185 -15.865) 36.861 20.092 ( 7.651 4.655 7.141) 11.454 20.618 ( 30.431 -2.241 -0.146) 30.514 21.314 ( -0.218 6.162 0.544) 6.190 21.642 ( -1.233 3.018 -3.708) 4.937 22.301 ( -0.602 -17.815 4.673) 18.427 22.429 ( 5.037 -13.664 0.137) 14.564 22.886 ( 16.615 5.737 -0.314) 17.581 22.988 ( 15.743 10.210 2.611) 18.945 23.250 ( 3.120 -4.779 -1.507) 5.903 23.371 ( 3.848 -0.134 -0.417) 3.873 24.061 ( -2.838 0.271 -6.857) 7.427 24.286 ( -6.520 -9.103 7.021) 13.216 24.948 ( 6.234 3.591 2.749) 7.702 25.281 ( 13.992 -9.905 0.901) 17.167 25.536 ( -3.273 4.512 -2.392) 6.066 25.954 ( 3.400 4.455 1.462) 5.792 26.088 ( 5.406 -3.490 -1.789) 6.679 26.188 ( 5.149 -0.866 1.110) 5.338 26.845 ( -0.382 4.712 -2.128) 5.184 26.895 ( 1.222 0.871 4.977) 5.198 27.027 ( -1.991 4.227 -2.358) 5.233 27.289 ( 2.974 3.825 -0.041) 4.845 27.691 ( -6.504 -11.146 -0.847) 12.932 27.976 ( -0.667 -2.810 -1.122) 3.099 28.149 ( -2.521 2.554 -0.032) 3.589 28.240 ( -1.331 2.739 0.124) 3.047 ======================= Grid point 98 (44/64) ======================= q-point: (-0.10 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -8.011 17.986 19.158) 27.471 0.956 ( -20.630 20.668 -4.111) 29.490 1.402 ( -14.229 6.374 10.840) 18.989 1.627 ( -23.589 4.315 9.306) 25.723 1.798 ( 12.366 2.573 -9.169) 15.608 1.947 ( 5.843 -0.813 -9.398) 11.096 2.097 ( -10.000 -7.637 3.278) 13.002 2.305 ( 3.655 -3.185 -10.857) 11.890 2.570 ( -3.027 -3.306 11.130) 11.999 2.655 ( -18.243 -3.644 -10.604) 21.413 2.763 ( -0.048 -0.188 1.783) 1.794 2.808 ( -1.467 -6.273 -1.886) 6.713 2.856 ( -5.232 -1.966 -2.882) 6.288 2.914 ( -1.676 -1.718 -3.925) 4.600 3.015 ( -5.424 -4.055 5.088) 8.471 3.111 ( -7.173 0.168 -2.118) 7.481 3.196 ( -10.079 -2.160 5.658) 11.758 3.343 ( 3.339 -2.582 5.417) 6.867 3.402 ( -6.498 -3.474 3.446) 8.134 3.521 ( -5.885 -0.547 5.577) 8.126 3.557 ( -2.528 3.434 0.077) 4.265 3.596 ( 1.048 -0.313 -2.885) 3.086 3.691 ( -3.310 0.741 -5.341) 6.327 3.848 ( 2.106 0.107 -0.185) 2.117 3.889 ( -1.655 -4.023 5.425) 6.954 3.947 ( -0.700 -3.840 -3.693) 5.374 4.006 ( 0.450 3.062 1.901) 3.632 4.129 ( -0.202 2.366 -2.399) 3.375 4.193 ( -4.269 2.711 -1.226) 5.204 4.247 ( 2.060 -3.882 -3.064) 5.357 4.381 ( 1.647 2.969 -0.325) 3.411 4.465 ( 1.348 1.764 -5.173) 5.629 4.515 ( 1.006 -0.551 0.773) 1.383 4.570 ( -1.313 2.555 1.614) 3.295 4.663 ( -3.602 4.473 -1.403) 5.911 4.730 ( -1.085 8.679 -2.837) 9.195 4.811 ( 4.121 -0.670 1.891) 4.583 4.977 ( 0.281 1.750 2.830) 3.339 5.036 ( -2.271 2.236 -0.463) 3.220 5.110 ( -2.948 2.459 0.417) 3.862 5.249 ( 0.470 -3.700 -3.036) 4.809 5.342 ( -1.183 -0.926 -1.745) 2.303 5.436 ( -3.704 -1.701 7.367) 8.420 5.494 ( 0.107 -0.470 -2.654) 2.697 5.653 ( 6.054 -0.555 4.386) 7.497 5.727 ( 0.779 -0.741 -1.226) 1.630 5.773 ( 1.521 -1.365 -1.610) 2.602 5.806 ( -2.605 0.244 0.303) 2.634 6.061 ( 2.695 0.109 2.576) 3.729 6.144 ( -3.746 4.108 3.733) 6.696 6.286 ( 4.049 9.360 0.019) 10.198 6.475 ( -1.721 3.653 -2.557) 4.779 6.522 ( 0.820 -9.089 -6.572) 11.246 6.625 ( 1.536 -1.473 3.805) 4.360 6.669 ( -0.867 1.620 -0.460) 1.894 6.876 ( -4.802 5.146 -4.290) 8.243 7.042 ( 8.576 -2.120 -4.649) 9.983 7.129 ( -3.418 -1.545 -5.644) 6.777 7.242 ( -1.981 -3.045 -0.321) 3.647 7.401 ( -6.445 -8.563 -3.516) 11.279 7.588 ( -0.278 2.728 -4.096) 4.929 7.739 ( -5.436 1.172 -0.763) 5.613 7.755 ( 1.281 -1.967 5.070) 5.587 7.855 ( 7.720 -3.632 3.512) 9.227 7.948 ( -2.054 -0.843 5.974) 6.373 8.082 ( -5.096 -15.276 0.767) 16.122 8.125 ( -2.103 -2.913 -0.702) 3.661 8.275 ( 1.004 -0.967 -11.924) 12.006 8.364 ( 9.280 -6.703 4.910) 12.456 8.561 ( 4.993 -5.205 1.758) 7.424 8.720 ( 1.375 -2.101 -6.859) 7.305 8.769 ( -0.630 2.063 -4.728) 5.197 8.870 ( 6.151 -1.398 5.828) 8.589 9.032 ( 7.093 -0.431 2.224) 7.446 9.173 ( -2.724 0.761 7.708) 8.211 9.302 ( -2.478 1.814 1.448) 3.395 9.419 ( 4.323 2.093 0.318) 4.814 9.540 ( 4.255 5.370 -5.438) 8.747 9.798 ( 3.812 5.126 11.136) 12.838 10.064 ( -5.212 -2.261 -3.412) 6.627 10.174 ( 1.315 -2.941 3.167) 4.518 10.246 ( -5.210 0.247 -0.952) 5.302 10.673 ( 2.017 -0.644 0.647) 2.214 10.693 ( 0.869 -2.514 2.586) 3.709 10.811 ( 9.749 0.608 -1.163) 9.837 10.937 ( -1.327 0.383 0.128) 1.387 11.016 ( 2.328 -3.863 2.557) 5.185 11.247 ( -3.183 -2.868 -5.125) 6.680 11.369 ( -0.217 6.284 1.503) 6.465 11.433 ( 1.955 6.242 0.885) 6.601 11.532 ( 11.248 1.589 1.941) 11.524 11.824 ( 6.095 -2.014 1.502) 6.593 11.869 ( 5.137 0.608 1.553) 5.401 12.003 ( 7.420 0.764 6.898) 10.160 12.358 ( -4.639 -4.769 -3.656) 7.591 12.377 ( 1.674 -1.884 -0.414) 2.554 12.473 ( 3.617 -0.456 0.926) 3.761 12.490 ( 6.487 0.147 2.011) 6.794 12.675 ( 4.861 0.311 -7.185) 8.680 12.709 ( -4.451 -0.412 6.151) 7.604 12.909 ( -3.834 -5.301 10.376) 12.266 13.101 ( -4.989 -8.357 -8.017) 12.610 13.346 ( -2.190 3.573 -1.545) 4.467 13.566 ( -5.753 -4.436 1.534) 7.425 13.842 ( 7.401 1.954 0.739) 7.690 13.845 ( 5.218 3.054 1.115) 6.148 13.939 ( 6.766 0.123 -4.539) 8.149 14.031 ( 4.667 2.880 2.267) 5.934 15.128 ( -3.766 6.786 1.514) 7.907 15.171 ( -1.926 9.539 -1.864) 9.909 15.765 ( 0.177 -3.548 -3.344) 4.879 15.925 ( 2.213 0.823 4.226) 4.841 16.067 ( -9.127 -6.156 3.257) 11.481 16.336 ( -3.258 -5.823 -6.803) 9.529 16.928 ( -36.452 1.231 -1.301) 36.496 17.571 ( -1.759 -0.302 -0.326) 1.814 17.671 ( 2.338 -1.852 -1.288) 3.249 17.808 ( -71.348 -30.007 -30.131) 83.059 20.447 ( 21.207 -6.869 30.996) 38.179 21.216 ( 21.645 -11.285 -2.249) 24.514 21.391 ( 11.158 11.745 0.670) 16.214 21.625 ( 3.002 5.942 -1.818) 6.901 22.227 ( -8.869 -18.717 8.030) 22.214 22.491 ( 0.285 -16.093 -1.572) 16.172 23.160 ( 5.729 3.125 4.158) 7.738 23.237 ( 3.497 1.506 -10.382) 11.058 23.407 ( 18.254 5.874 2.440) 19.330 23.472 ( 9.227 4.791 -0.177) 10.398 23.951 ( -7.317 3.796 -4.764) 9.521 24.123 ( -11.371 -6.012 6.422) 14.376 25.050 ( 3.801 -2.558 4.641) 6.522 25.348 ( -5.157 -7.729 1.310) 9.384 25.663 ( 11.734 -4.525 -0.541) 12.588 26.016 ( 1.583 -5.518 0.885) 5.808 26.175 ( 2.266 -2.230 5.197) 6.093 26.304 ( 5.775 -4.377 -1.258) 7.355 26.889 ( 4.964 7.060 -1.000) 8.688 26.900 ( -2.412 5.049 0.879) 5.664 27.010 ( 2.729 4.258 -1.426) 5.255 27.341 ( 2.582 8.334 -2.122) 8.979 27.515 ( -8.935 -6.938 -1.701) 11.440 27.896 ( -8.122 5.009 -2.820) 9.951 28.106 ( -0.427 -1.734 -0.084) 1.788 28.193 ( -3.081 1.050 0.134) 3.258 ======================= Grid point 99 (45/64) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -13.444 18.172 12.175) 25.675 1.341 ( -1.771 19.788 16.832) 26.039 1.399 ( 0.846 7.520 -17.013) 18.620 1.732 ( -7.467 -3.006 8.063) 11.394 1.757 ( 12.750 14.357 28.106) 34.039 1.824 ( -7.035 3.052 -14.404) 16.318 2.125 ( 10.363 -2.051 -9.715) 14.352 2.256 ( -12.009 -13.772 7.580) 19.782 2.366 ( 10.364 -5.520 -2.848) 12.084 2.432 ( 0.672 -2.240 -9.656) 9.935 2.594 ( -0.664 -4.819 -1.194) 5.009 2.677 ( -3.263 -0.844 -6.095) 6.965 2.796 ( 2.842 -2.754 1.275) 4.158 2.851 ( 1.486 -4.867 3.791) 6.345 2.867 ( -0.611 -2.259 -6.855) 7.243 2.974 ( -1.583 -4.669 -6.815) 8.411 3.127 ( 0.693 2.831 5.925) 6.603 3.255 ( 1.886 -1.869 -5.011) 5.671 3.408 ( 1.538 1.765 3.173) 3.943 3.442 ( -1.913 0.714 -0.542) 2.112 3.513 ( -2.761 -0.450 4.864) 5.611 3.614 ( -0.989 -2.896 -3.187) 4.419 3.703 ( 5.280 -1.031 3.441) 6.386 3.813 ( -0.950 -1.745 -5.545) 5.890 3.875 ( -0.750 1.386 8.519) 8.664 3.955 ( 5.165 -0.957 0.929) 5.335 4.056 ( -0.807 1.096 -4.300) 4.511 4.118 ( -4.245 -2.897 -6.256) 8.096 4.172 ( -1.211 1.847 6.552) 6.914 4.298 ( -0.023 4.839 5.529) 7.348 4.320 ( 1.558 -5.433 -2.685) 6.257 4.486 ( -2.180 5.695 -6.502) 8.914 4.527 ( -2.363 -1.044 0.078) 2.585 4.594 ( 3.981 0.266 -1.021) 4.119 4.725 ( 2.965 3.744 4.366) 6.471 4.845 ( -0.567 0.031 -3.313) 3.361 4.943 ( 1.431 4.309 -0.534) 4.572 4.993 ( -0.052 2.563 -2.901) 3.871 5.093 ( -2.004 4.716 1.658) 5.385 5.180 ( 2.003 4.684 -3.202) 6.017 5.234 ( -1.913 0.168 3.134) 3.675 5.292 ( 3.132 -1.471 -3.644) 5.025 5.378 ( -1.125 0.898 3.843) 4.104 5.447 ( -0.250 -0.454 -2.886) 2.932 5.569 ( -3.973 -5.930 5.674) 9.118 5.683 ( 0.618 -6.872 -2.324) 7.280 5.789 ( 0.643 0.706 3.966) 4.080 5.803 ( -2.489 1.349 3.387) 4.415 6.210 ( 2.374 4.744 4.227) 6.783 6.265 ( -0.440 5.027 1.302) 5.212 6.382 ( -2.761 -2.650 1.553) 4.130 6.439 ( -1.250 -5.554 -3.029) 6.448 6.526 ( -1.887 7.653 -2.114) 8.161 6.532 ( 0.408 6.354 -1.336) 6.506 6.730 ( 1.665 3.729 -2.682) 4.886 6.746 ( 0.942 1.335 0.251) 1.652 6.915 ( -4.871 -2.102 6.843) 8.658 7.051 ( -1.157 -6.584 -0.726) 6.725 7.166 ( 1.851 -1.309 -6.172) 6.576 7.211 ( 6.567 -4.456 -8.411) 11.564 7.639 ( 0.784 2.306 5.362) 5.889 7.653 ( -6.035 2.466 3.721) 7.507 7.798 ( 0.720 -0.419 4.590) 4.665 7.855 ( 1.651 -0.757 1.022) 2.084 7.894 ( -1.978 -3.113 5.391) 6.532 7.932 ( -0.189 -4.288 1.181) 4.452 8.126 ( 2.800 -0.964 -6.272) 6.936 8.219 ( 0.707 -3.467 -8.171) 8.904 8.440 ( 0.846 -2.188 5.289) 5.786 8.558 ( 0.259 -4.523 -0.061) 4.530 8.619 ( 0.676 -3.021 -7.125) 7.768 8.658 ( -2.918 -3.256 -6.207) 7.592 9.047 ( 0.242 0.837 8.007) 8.054 9.089 ( 0.520 0.184 3.928) 3.966 9.194 ( 1.183 1.860 4.828) 5.307 9.259 ( 1.058 -0.713 -0.670) 1.441 9.527 ( -0.880 2.238 3.704) 4.416 9.571 ( -3.424 0.062 1.076) 3.589 9.890 ( -1.450 -2.292 -3.732) 4.614 9.910 ( 3.036 -2.897 -4.480) 6.138 10.181 ( -2.163 1.296 2.053) 3.252 10.220 ( 0.817 0.601 -0.068) 1.016 10.637 ( -1.097 -0.620 2.910) 3.171 10.702 ( 2.647 -1.384 -2.077) 3.638 10.830 ( -0.882 -3.486 2.651) 4.468 10.856 ( -0.689 -2.890 0.517) 3.015 11.088 ( 0.063 -0.236 3.664) 3.673 11.156 ( 0.516 -1.863 -1.857) 2.681 11.497 ( -1.265 4.926 0.607) 5.122 11.530 ( 0.574 4.051 -3.899) 5.652 11.700 ( -0.513 0.460 2.324) 2.424 11.808 ( 0.900 -3.565 -4.215) 5.594 12.032 ( -5.339 2.606 -0.442) 5.958 12.061 ( -2.054 2.451 -2.375) 3.983 12.332 ( 12.274 -5.979 8.071) 15.860 12.344 ( -1.644 -5.725 3.881) 7.109 12.496 ( -4.692 -0.993 -0.484) 4.820 12.500 ( -1.416 -0.853 2.189) 2.743 12.633 ( 0.318 1.546 0.839) 1.788 12.721 ( 2.911 -1.288 -2.373) 3.970 12.860 ( -2.001 -0.548 3.610) 4.164 12.961 ( 6.740 -6.812 -5.908) 11.258 13.342 ( 2.274 -0.904 0.908) 2.610 13.366 ( -2.785 -2.137 -0.646) 3.569 13.949 ( -2.570 1.341 1.832) 3.429 14.009 ( -1.256 -0.200 -2.988) 3.248 14.029 ( -2.225 -0.600 -0.175) 2.311 14.034 ( 4.359 0.231 -0.520) 4.395 15.330 ( 0.419 10.376 0.925) 10.426 15.372 ( 2.561 12.010 -2.691) 12.571 15.649 ( 3.894 -5.001 2.270) 6.732 15.730 ( -4.226 -5.366 -4.972) 8.448 16.035 ( 4.492 -2.124 3.439) 6.043 16.060 ( -9.924 -3.765 1.722) 10.753 16.537 ( -1.599 1.939 1.471) 2.912 16.572 ( 1.999 0.517 -1.364) 2.475 17.615 ( 0.539 0.809 1.661) 1.925 17.660 ( -0.608 -1.338 -1.978) 2.464 20.741 ( 7.225 -2.157 19.318) 20.738 21.053 ( -3.953 -13.881 -8.304) 16.651 21.717 ( -1.191 2.241 4.553) 5.212 21.817 ( 0.876 4.113 -3.727) 5.619 21.878 ( -0.156 -6.545 10.503) 12.376 22.116 ( -0.854 -12.078 -8.465) 14.773 23.263 ( -3.872 7.598 3.851) 9.356 23.380 ( 2.726 4.948 -5.901) 8.169 23.592 ( 2.831 -7.420 1.261) 8.041 23.626 ( -4.578 -7.111 -1.822) 8.651 23.950 ( 2.357 7.798 5.707) 9.947 24.082 ( 4.141 1.994 -5.339) 7.044 25.059 ( 3.756 -3.310 1.554) 5.242 25.131 ( -0.676 -5.582 -3.535) 6.642 25.673 ( -8.048 2.947 12.347) 15.030 25.862 ( 0.800 -4.677 -2.359) 5.299 26.164 ( -0.008 -3.056 2.458) 3.922 26.267 ( 2.806 -5.613 -4.524) 7.736 26.934 ( -4.508 5.682 4.874) 8.738 27.061 ( 2.706 -0.080 -3.089) 4.107 27.138 ( 5.909 1.598 -1.035) 6.209 27.187 ( -5.025 -0.469 -2.860) 5.801 27.749 ( -3.255 7.478 3.143) 8.741 27.841 ( 3.172 3.261 -4.641) 6.499 28.100 ( -0.809 -1.624 0.214) 1.827 28.109 ( 1.073 -1.661 -0.439) 2.025 ======================= Grid point 100 (46/64) ======================= q-point: ( 0.10 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -1.116 14.670 20.098) 24.908 1.361 ( -1.090 15.054 19.106) 24.349 1.424 ( 5.086 3.427 0.507) 6.154 1.617 ( 3.485 9.817 -16.052) 19.136 1.819 ( 4.343 -5.449 4.913) 8.526 1.941 ( -4.971 -9.420 4.589) 11.598 2.202 ( 2.574 2.563 -12.125) 12.658 2.304 ( 13.334 3.552 -0.987) 13.835 2.425 ( 12.329 -0.320 -4.738) 13.211 2.597 ( 3.483 -4.909 0.300) 6.026 2.677 ( 5.932 -0.022 -0.453) 5.950 2.724 ( 6.616 -1.885 -1.471) 7.035 2.832 ( 3.445 -4.587 -2.118) 6.115 2.883 ( 4.784 -4.255 -3.618) 7.355 2.945 ( 6.023 -2.593 4.186) 7.780 3.030 ( 7.500 -5.349 -3.349) 9.802 3.208 ( 3.838 -0.582 6.033) 7.174 3.281 ( 3.467 -3.445 3.304) 5.900 3.410 ( -0.351 -0.788 1.417) 1.659 3.491 ( 1.738 -2.440 2.201) 3.718 3.553 ( 6.708 2.288 -3.184) 7.770 3.615 ( 3.421 -3.794 2.032) 5.498 3.734 ( -0.548 2.737 -6.037) 6.651 3.838 ( 3.081 1.650 1.115) 3.668 3.922 ( -5.345 -0.246 -4.777) 7.173 3.943 ( 2.753 -3.654 3.299) 5.641 3.985 ( -3.097 2.411 0.658) 3.980 4.040 ( -0.340 1.550 1.898) 2.474 4.220 ( 1.905 -2.534 6.258) 7.016 4.290 ( 1.049 3.137 -1.232) 3.530 4.398 ( 2.764 -0.425 -0.582) 2.856 4.423 ( -2.188 1.675 1.980) 3.393 4.550 ( 5.724 2.436 -8.599) 10.613 4.671 ( 3.864 -0.400 -3.428) 5.181 4.768 ( -1.433 3.366 0.831) 3.751 4.813 ( 0.118 7.223 1.709) 7.423 4.902 ( -1.696 5.257 -3.455) 6.515 5.037 ( -2.348 2.150 2.245) 3.895 5.081 ( 5.930 -2.403 -3.314) 7.205 5.130 ( -3.842 -0.362 2.467) 4.581 5.234 ( -0.796 6.491 0.070) 6.540 5.345 ( 1.975 -0.063 -2.974) 3.571 5.388 ( 0.295 -2.455 0.700) 2.570 5.441 ( -0.153 -1.676 -0.796) 1.862 5.517 ( -2.373 -2.278 9.705) 10.247 5.650 ( -3.094 -6.538 -0.254) 7.238 5.783 ( 0.428 0.694 3.351) 3.448 5.861 ( 2.989 -2.075 -1.411) 3.903 6.122 ( -5.284 3.032 -1.331) 6.236 6.269 ( -2.288 -2.619 1.011) 3.622 6.374 ( -1.302 5.528 0.279) 5.686 6.432 ( -2.846 4.920 -0.643) 5.720 6.482 ( 1.522 3.730 1.608) 4.338 6.633 ( -0.093 -2.525 -1.350) 2.864 6.717 ( 3.596 1.888 0.504) 4.093 6.871 ( -1.992 -0.016 0.513) 2.057 6.948 ( 12.272 0.645 -1.941) 12.442 7.035 ( 3.547 -5.925 -1.490) 7.065 7.214 ( 3.764 -0.219 -4.735) 6.053 7.317 ( 4.736 -4.828 -6.984) 9.722 7.507 ( -5.797 4.567 5.324) 9.100 7.691 ( -0.268 -0.543 6.833) 6.860 7.789 ( -5.735 -2.514 -2.101) 6.605 7.849 ( 1.224 -2.493 9.973) 10.352 7.876 ( -3.256 -1.283 -2.382) 4.234 7.917 ( 0.708 -2.961 5.159) 5.990 8.143 ( -0.608 -0.272 -7.321) 7.351 8.211 ( 0.308 -1.363 0.000) 1.397 8.398 ( -4.919 -3.371 -3.545) 6.937 8.445 ( -1.959 -3.390 -6.389) 7.493 8.633 ( 1.141 -2.406 -2.213) 3.462 8.732 ( 3.923 -2.159 1.103) 4.612 8.919 ( -9.128 0.510 2.332) 9.435 8.978 ( -10.502 -0.816 1.424) 10.629 9.278 ( 0.738 1.254 3.052) 3.381 9.331 ( 3.666 0.661 1.988) 4.222 9.432 ( -6.479 1.785 2.016) 7.016 9.498 ( -2.962 -0.807 1.149) 3.278 9.931 ( 3.708 -1.517 -0.293) 4.017 9.958 ( 2.617 -1.429 -3.067) 4.278 10.175 ( 0.066 -1.017 2.370) 2.580 10.239 ( 0.654 -1.908 0.678) 2.128 10.627 ( -0.961 1.359 1.396) 2.173 10.752 ( 1.863 -0.063 -1.626) 2.474 10.789 ( -2.851 -0.729 -0.586) 3.000 10.860 ( -0.398 -5.193 3.302) 6.167 11.042 ( -3.238 -0.326 0.237) 3.263 11.130 ( -3.011 -2.668 -0.361) 4.039 11.448 ( -2.997 3.596 1.395) 4.884 11.484 ( -5.364 1.220 0.112) 5.502 11.633 ( -2.746 6.143 -1.276) 6.849 11.794 ( -2.427 -0.587 0.161) 2.503 11.906 ( -4.713 2.293 0.513) 5.266 12.041 ( -5.392 -4.104 0.617) 6.804 12.261 ( 0.341 -0.322 0.029) 0.470 12.377 ( -3.594 -3.070 -1.103) 4.854 12.465 ( -0.963 -0.810 2.201) 2.535 12.483 ( 0.747 -1.979 0.393) 2.152 12.674 ( -9.397 4.691 -1.804) 10.657 12.779 ( 10.289 0.013 1.939) 10.470 12.809 ( 0.904 -3.584 -0.204) 3.702 12.998 ( 2.681 -8.454 -8.043) 11.973 13.399 ( 4.588 2.019 -1.680) 5.287 13.492 ( 7.440 -2.887 0.708) 8.012 13.801 ( -8.666 1.177 3.277) 9.340 13.835 ( -8.400 -0.456 2.613) 8.809 14.005 ( -3.672 2.779 -2.572) 5.275 14.088 ( -2.020 -0.083 -0.136) 2.026 15.330 ( 2.066 11.487 0.832) 11.701 15.366 ( -1.554 10.811 -1.447) 11.018 15.693 ( -1.130 -3.657 -2.687) 4.677 15.837 ( -0.867 -10.717 3.124) 11.196 16.075 ( 1.682 -3.649 2.797) 4.896 16.097 ( 15.871 -5.292 -4.548) 17.338 16.998 ( 42.061 3.178 -1.749) 42.217 17.202 ( 49.794 -5.858 3.186) 50.239 17.611 ( -2.992 -0.322 -1.103) 3.205 17.621 ( -0.695 -0.551 0.955) 1.304 20.780 ( -16.672 -7.192 -6.553) 19.303 20.800 ( -10.165 -7.553 8.235) 15.106 21.571 ( -7.925 7.534 1.189) 10.999 21.744 ( -5.420 6.475 -1.523) 8.580 21.980 ( 3.630 -13.084 8.161) 15.842 22.136 ( 3.146 -12.486 -4.039) 13.494 23.158 ( -6.537 6.406 2.746) 9.556 23.328 ( -8.078 3.696 -3.688) 9.618 23.421 ( -9.876 -1.848 1.437) 10.150 23.493 ( -10.807 -4.612 -0.111) 11.751 24.013 ( 1.612 4.181 -0.508) 4.510 24.178 ( 5.181 -5.332 -5.629) 9.325 25.093 ( 0.508 -1.641 -3.765) 4.139 25.207 ( 3.835 -7.375 0.084) 8.313 25.564 ( -4.724 6.909 8.799) 12.144 25.883 ( 0.059 -8.160 2.700) 8.595 26.151 ( -1.829 0.792 0.987) 2.225 26.281 ( -0.124 -3.267 -3.764) 4.986 26.865 ( -2.680 6.700 4.138) 8.318 27.048 ( -3.227 -1.767 -1.435) 3.949 27.125 ( -0.235 3.556 -2.489) 4.347 27.257 ( 4.629 -3.360 -0.815) 5.778 27.592 ( -6.231 9.479 0.850) 11.375 27.901 ( -0.788 -5.137 -0.845) 5.265 28.123 ( 5.018 2.084 -0.661) 5.474 28.198 ( 4.724 -0.911 -0.127) 4.813 ======================= Grid point 101 (47/64) ======================= q-point: ( 0.20 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 18.707 9.028 14.973) 25.606 1.520 ( 13.841 2.850 -2.855) 14.417 1.680 ( 13.151 6.545 3.901) 15.199 1.708 ( 13.046 0.166 3.219) 13.438 1.924 ( 6.143 -6.182 -1.428) 8.831 2.000 ( 5.557 -7.707 2.386) 9.797 2.221 ( 6.759 5.525 -11.990) 14.831 2.464 ( 7.408 6.976 -2.792) 10.551 2.538 ( 0.201 -6.861 -0.289) 6.871 2.740 ( 3.313 -3.889 -0.063) 5.109 2.789 ( 7.327 -3.593 -3.181) 8.759 2.853 ( 6.784 -4.577 -5.958) 10.123 2.904 ( 5.264 1.152 -1.482) 5.588 2.990 ( 4.925 -3.393 -1.016) 6.067 3.139 ( 10.704 -3.490 1.748) 11.394 3.190 ( 4.166 -5.899 -4.497) 8.508 3.290 ( 4.467 -1.825 5.963) 7.671 3.389 ( 6.439 1.925 4.474) 8.074 3.506 ( 3.391 -5.179 4.549) 7.682 3.518 ( 3.939 2.442 9.071) 10.186 3.598 ( -4.326 5.961 -4.998) 8.900 3.701 ( 4.885 -1.564 0.631) 5.168 3.779 ( 7.202 -5.875 -1.978) 9.503 3.848 ( -0.296 -2.336 0.437) 2.394 3.921 ( 0.082 4.579 3.061) 5.508 3.959 ( 7.279 -1.574 0.530) 7.466 4.041 ( 1.551 -2.565 5.043) 5.867 4.098 ( 6.916 7.730 2.343) 10.634 4.242 ( -2.519 -4.349 0.704) 5.075 4.337 ( 2.114 1.742 6.805) 7.336 4.385 ( 3.774 6.693 -4.948) 9.139 4.525 ( 7.270 -0.178 -2.998) 7.866 4.614 ( 2.099 4.270 -4.946) 6.863 4.707 ( 0.224 1.282 -2.894) 3.173 4.768 ( 3.691 7.372 -4.479) 9.382 4.800 ( -0.562 4.899 0.947) 5.021 4.862 ( -4.675 1.461 -0.575) 4.932 5.004 ( 1.696 2.518 -1.173) 3.255 5.098 ( -2.893 -2.749 2.322) 4.616 5.174 ( 3.680 -1.766 -8.850) 9.746 5.196 ( -0.693 6.618 4.909) 8.269 5.319 ( -1.686 -2.232 -4.692) 5.462 5.377 ( -3.724 -0.757 5.066) 6.333 5.443 ( 1.687 -5.046 1.931) 5.660 5.550 ( 0.671 -0.700 4.007) 4.123 5.613 ( -0.218 -2.074 0.039) 2.085 5.793 ( -0.414 -0.334 0.312) 0.617 5.841 ( -2.890 -1.915 -5.192) 6.243 6.064 ( -0.335 2.451 0.583) 2.542 6.204 ( -4.979 0.245 1.026) 5.089 6.308 ( -2.661 1.113 -0.726) 2.974 6.373 ( -2.040 3.445 1.190) 4.176 6.513 ( -7.111 0.417 -1.115) 7.210 6.537 ( 0.020 -1.866 2.057) 2.777 6.722 ( -4.767 4.047 -3.759) 7.296 6.844 ( 0.047 -3.885 3.814) 5.444 7.059 ( -0.071 -1.847 -2.231) 2.898 7.133 ( 0.002 -5.508 0.858) 5.574 7.276 ( 4.676 2.179 -7.465) 9.074 7.319 ( -0.465 -0.831 -1.255) 1.576 7.528 ( 2.614 2.387 5.769) 6.768 7.633 ( -7.083 -2.043 -0.606) 7.396 7.689 ( -1.719 -0.737 3.781) 4.218 7.788 ( -6.131 -0.213 0.004) 6.134 7.912 ( -1.092 0.138 4.731) 4.857 7.953 ( 3.478 -7.926 10.862) 13.889 8.083 ( -2.979 -0.401 -5.515) 6.281 8.206 ( 0.730 -4.312 -7.433) 8.624 8.325 ( -0.417 3.767 -3.333) 5.047 8.410 ( -1.286 1.571 -6.761) 7.059 8.618 ( -2.876 -1.095 0.731) 3.163 8.698 ( -4.260 -0.465 -0.322) 4.298 8.773 ( -9.059 -2.341 3.473) 9.981 8.832 ( -0.725 -4.278 0.831) 4.417 9.228 ( -3.677 1.801 1.284) 4.291 9.301 ( -5.090 0.164 2.862) 5.842 9.424 ( 1.949 2.202 0.902) 3.076 9.477 ( 0.289 -0.476 -1.130) 1.260 9.934 ( -1.375 1.281 -1.977) 2.728 10.015 ( 0.668 -2.339 2.457) 3.457 10.167 ( -1.488 -1.615 -0.430) 2.238 10.213 ( -4.412 -3.658 1.295) 5.876 10.607 ( -1.060 3.358 2.129) 4.115 10.679 ( -5.055 3.739 1.603) 6.488 10.765 ( -1.193 -0.731 -6.594) 6.741 10.850 ( -2.849 -4.864 6.289) 8.446 11.025 ( 1.743 -1.547 -2.110) 3.144 11.085 ( -1.219 -3.157 2.431) 4.167 11.384 ( -2.685 4.392 -0.585) 5.181 11.413 ( -1.443 2.042 2.252) 3.365 11.564 ( -3.278 4.856 -1.736) 6.110 11.701 ( -5.124 -1.117 -2.341) 5.743 11.824 ( -3.161 2.176 0.501) 3.870 11.951 ( -2.580 -3.921 -2.327) 5.239 12.270 ( -0.801 -0.464 -0.535) 1.068 12.336 ( 0.320 -3.107 -4.444) 5.432 12.439 ( -4.285 0.901 -0.401) 4.397 12.458 ( -1.636 -0.224 -1.104) 1.987 12.627 ( 3.930 4.179 1.583) 5.951 12.818 ( 3.652 -3.781 4.252) 6.762 12.991 ( 8.871 -1.831 2.190) 9.319 13.086 ( 5.813 -4.696 -6.259) 9.748 13.433 ( -2.375 1.787 -0.098) 2.974 13.513 ( -4.336 -2.632 0.280) 5.080 13.685 ( -5.037 2.477 2.677) 6.219 13.770 ( 1.530 -0.259 3.870) 4.170 13.902 ( -3.635 3.638 -2.487) 5.713 13.985 ( -6.705 0.200 -1.709) 6.922 15.344 ( -0.323 9.819 0.916) 9.867 15.395 ( 2.527 9.742 -0.175) 10.066 15.637 ( -2.387 -4.801 -1.466) 5.558 15.788 ( -3.639 -7.142 2.297) 8.338 16.180 ( 7.231 -0.755 1.991) 7.538 16.342 ( 9.878 -6.821 -3.484) 12.499 17.531 ( -4.284 0.199 0.755) 4.355 17.570 ( -3.183 -2.109 -0.870) 3.916 17.937 ( 44.301 2.753 -5.134) 44.682 18.222 ( 42.043 -8.854 7.494) 43.614 20.361 ( -18.549 1.165 -6.754) 19.774 20.490 ( -20.850 -4.071 3.950) 21.608 21.485 ( -0.868 6.427 -1.521) 6.661 21.647 ( -4.039 4.906 0.597) 6.383 22.049 ( 1.287 -13.301 4.105) 13.979 22.160 ( -0.303 -12.131 -1.177) 12.192 22.999 ( -12.012 5.501 -0.029) 13.212 23.087 ( -10.063 3.048 1.834) 10.673 23.242 ( -9.166 -0.619 -3.767) 9.929 23.296 ( -7.445 -4.663 2.345) 9.092 24.037 ( 1.934 2.231 -1.970) 3.549 24.233 ( 2.768 -8.343 -4.307) 9.788 25.041 ( -5.509 0.332 -1.293) 5.668 25.136 ( -10.084 -3.254 2.815) 10.964 25.592 ( 4.580 5.792 0.911) 7.440 25.878 ( -1.126 -7.462 2.741) 8.029 26.087 ( -4.835 5.282 0.589) 7.184 26.227 ( -4.078 -1.276 -2.304) 4.855 26.860 ( 0.304 4.752 3.000) 5.628 26.973 ( -3.076 0.174 -1.291) 3.341 27.109 ( -0.804 1.894 -1.262) 2.414 27.287 ( -1.663 -2.601 0.732) 3.172 27.562 ( 2.569 2.591 0.116) 3.650 27.866 ( -1.535 -7.841 -0.430) 8.001 28.218 ( 3.690 2.981 -0.206) 4.749 28.274 ( 2.551 0.457 -0.065) 2.592 ======================= Grid point 102 (48/64) ======================= q-point: ( 0.30 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 21.523 2.334 -3.995) 22.015 1.831 ( 15.826 0.999 -2.706) 16.086 1.896 ( 10.328 -3.852 6.393) 12.742 2.035 ( 9.770 0.397 1.374) 9.874 2.089 ( 4.569 -11.462 -1.295) 12.407 2.192 ( 20.751 -1.436 1.828) 20.881 2.389 ( 10.164 3.049 -3.467) 11.163 2.556 ( 3.063 -1.544 2.714) 4.374 2.593 ( 3.994 0.455 0.082) 4.021 2.795 ( 1.190 -6.098 -5.598) 8.363 2.897 ( 7.508 1.392 -1.260) 7.739 2.945 ( 6.091 -0.797 -4.005) 7.333 3.032 ( 1.705 -2.388 -3.867) 4.854 3.080 ( 8.966 -0.990 0.306) 9.025 3.215 ( 3.658 0.782 -0.444) 3.767 3.279 ( 1.907 -2.289 -1.984) 3.580 3.376 ( 0.217 -1.189 1.334) 1.800 3.454 ( -1.501 -1.199 3.374) 3.882 3.546 ( 1.464 2.424 7.373) 7.898 3.584 ( 2.431 4.378 -1.137) 5.135 3.670 ( 1.566 -2.053 6.480) 6.975 3.755 ( -0.541 -2.530 0.263) 2.600 3.853 ( 5.213 -2.726 2.181) 6.274 3.889 ( 7.872 4.675 2.663) 9.535 4.015 ( -4.874 0.113 3.286) 5.879 4.054 ( 3.838 -0.182 -0.031) 3.843 4.125 ( 7.327 -3.357 0.173) 8.061 4.244 ( 8.068 -3.705 -0.967) 8.931 4.271 ( 5.692 1.345 5.376) 7.944 4.400 ( 0.015 -1.744 9.780) 9.935 4.510 ( 7.132 5.441 -4.155) 9.886 4.558 ( -2.687 6.438 -2.010) 7.260 4.608 ( -1.080 6.498 -3.436) 7.430 4.712 ( -2.000 2.128 -0.068) 2.921 4.724 ( 0.808 0.617 0.585) 1.173 4.836 ( 2.144 4.669 -8.478) 9.913 4.888 ( 6.459 3.573 -5.500) 9.206 5.027 ( -3.042 -2.800 4.404) 6.041 5.078 ( 5.253 1.257 -0.185) 5.404 5.111 ( -3.312 6.439 -6.531) 9.751 5.268 ( 1.191 -4.124 -0.974) 4.402 5.292 ( 0.060 -1.692 -3.395) 3.794 5.339 ( 1.464 2.546 0.770) 3.037 5.478 ( 0.328 0.773 -0.879) 1.215 5.558 ( -0.094 -1.282 4.692) 4.865 5.623 ( -0.182 -0.830 2.863) 2.987 5.726 ( -3.976 -3.441 -4.902) 7.189 5.787 ( -2.010 -4.899 1.855) 5.611 6.080 ( -1.058 5.248 0.403) 5.369 6.113 ( -2.913 6.063 1.642) 6.924 6.269 ( -1.532 -1.927 -3.391) 4.191 6.312 ( -3.683 2.552 -2.054) 4.929 6.344 ( -7.609 -1.041 -0.362) 7.689 6.504 ( -3.935 -4.598 -4.305) 7.426 6.624 ( -2.707 2.210 5.700) 6.685 6.835 ( -3.953 -6.608 2.726) 8.168 7.004 ( -2.231 -1.368 1.554) 3.043 7.082 ( -3.866 -4.346 3.373) 6.724 7.296 ( -1.874 -0.212 -0.487) 1.948 7.317 ( 1.206 -0.397 -3.491) 3.714 7.484 ( -4.384 3.911 -2.161) 6.260 7.588 ( -5.496 0.905 4.664) 7.265 7.641 ( 1.241 4.920 -2.203) 5.532 7.696 ( -3.229 0.505 6.038) 6.866 7.870 ( -7.804 -3.879 10.425) 13.588 7.992 ( 1.915 -3.118 -5.198) 6.357 8.076 ( 2.929 -2.842 -1.650) 4.402 8.183 ( 1.523 -4.680 -15.496) 16.259 8.241 ( -5.705 6.289 -1.441) 8.612 8.368 ( -2.965 1.331 -2.113) 3.876 8.569 ( -5.147 -0.082 8.661) 10.075 8.629 ( -1.364 -4.559 0.826) 4.829 8.687 ( 0.098 -0.291 -1.364) 1.398 8.835 ( 1.470 -4.859 -1.749) 5.369 9.190 ( -0.059 1.266 0.446) 1.343 9.233 ( -2.670 -0.169 1.920) 3.293 9.413 ( -2.378 2.250 -1.713) 3.695 9.498 ( 1.234 -0.169 2.356) 2.664 9.850 ( -6.651 2.180 -1.359) 7.130 10.017 ( -0.469 -3.210 5.100) 6.045 10.082 ( -6.895 -1.738 -2.821) 7.650 10.140 ( -0.309 -1.863 -1.459) 2.387 10.602 ( -2.976 3.481 7.357) 8.666 10.624 ( 0.918 1.732 -1.292) 2.348 10.701 ( -1.980 -0.100 -6.870) 7.151 10.780 ( -6.398 -2.595 8.015) 10.579 11.032 ( -1.367 -0.906 -1.502) 2.224 11.068 ( -0.860 -2.104 -3.635) 4.287 11.348 ( -0.583 4.063 -3.189) 5.198 11.438 ( 1.645 1.119 3.295) 3.849 11.528 ( 0.487 3.934 3.634) 5.378 11.631 ( 0.132 -1.273 -4.123) 4.317 11.773 ( -1.936 1.509 1.419) 2.836 11.887 ( -3.479 -3.489 -0.668) 4.972 12.239 ( -2.411 -0.733 -3.868) 4.616 12.304 ( -4.009 -3.181 -1.355) 5.294 12.395 ( 1.890 -0.160 -1.799) 2.614 12.422 ( 1.137 -0.781 -2.562) 2.910 12.735 ( 4.247 5.515 2.814) 7.508 12.961 ( 5.693 -1.315 5.697) 8.161 13.035 ( -5.161 -0.703 -3.624) 6.345 13.154 ( 1.772 -3.831 0.176) 4.225 13.406 ( 2.517 -0.350 1.329) 2.868 13.458 ( 0.213 -2.236 3.974) 4.564 13.622 ( -2.209 5.305 -0.282) 5.753 13.779 ( -3.444 -0.797 0.358) 3.553 13.847 ( -2.832 2.563 -1.398) 4.067 13.872 ( -0.960 0.257 -2.310) 2.515 15.345 ( 0.360 7.627 0.582) 7.658 15.416 ( -0.413 7.992 -0.291) 8.008 15.599 ( -1.175 -3.937 -0.511) 4.140 15.716 ( -4.072 -4.827 1.592) 6.513 16.360 ( 9.428 0.084 1.045) 9.486 16.509 ( 7.807 -4.854 -1.391) 9.298 17.442 ( -5.082 -1.012 2.183) 5.624 17.463 ( -6.120 -1.999 -2.514) 6.911 18.671 ( 29.243 3.100 -4.587) 29.762 18.874 ( 19.798 -5.090 6.310) 21.394 20.028 ( -12.964 2.268 -0.894) 13.191 20.091 ( -17.188 -0.194 -0.234) 17.191 21.511 ( 4.138 4.829 -3.574) 7.295 21.584 ( -2.134 2.670 2.603) 4.296 22.062 ( -3.220 -7.485 3.765) 8.976 22.104 ( -3.327 -8.804 -3.165) 9.930 22.758 ( -8.290 6.672 -1.534) 10.751 22.922 ( -7.944 3.506 3.561) 9.385 23.068 ( -6.568 -5.970 -5.593) 10.491 23.155 ( -7.784 -5.214 3.075) 9.861 24.094 ( 4.218 2.254 -0.973) 4.880 24.282 ( 3.597 -7.410 -2.335) 8.562 24.845 ( -12.573 2.294 0.445) 12.788 24.930 ( -10.000 -1.895 1.912) 10.356 25.693 ( 4.683 2.995 -0.828) 5.621 25.863 ( -1.031 -4.040 1.638) 4.480 25.975 ( -5.822 5.161 0.350) 7.788 26.115 ( -5.766 -1.084 -1.031) 5.957 26.877 ( 0.163 1.770 1.672) 2.441 26.922 ( -1.554 0.116 -1.204) 1.969 27.089 ( -0.625 1.856 -0.281) 1.978 27.225 ( -3.966 -0.141 0.718) 4.033 27.646 ( 4.615 -2.582 0.372) 5.302 27.842 ( -0.702 -7.900 -0.595) 7.953 28.264 ( 1.007 3.311 0.033) 3.461 28.300 ( 0.190 1.611 -0.006) 1.622 ======================= Grid point 104 (49/64) ======================= q-point: ( 0.40 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 8.041 -4.109 -3.332) 9.625 2.076 ( 9.688 -2.037 4.027) 10.687 2.089 ( 4.658 -10.674 0.852) 11.678 2.154 ( 4.762 -7.229 -1.533) 8.792 2.348 ( 14.735 1.240 -0.484) 14.795 2.486 ( 1.699 -3.323 -1.702) 4.103 2.584 ( 7.364 -0.035 1.906) 7.607 2.634 ( 11.681 -2.422 4.565) 12.773 2.722 ( 6.543 1.497 -3.743) 7.685 2.779 ( 0.435 -3.385 -3.018) 4.556 2.965 ( 1.461 1.401 -4.667) 5.087 3.031 ( -0.526 0.569 -5.325) 5.381 3.161 ( 11.147 4.240 -1.123) 11.979 3.209 ( 4.540 0.444 -1.252) 4.730 3.262 ( -1.311 -2.064 2.079) 3.210 3.295 ( -3.770 -0.572 9.974) 10.678 3.376 ( -3.825 0.712 5.906) 7.072 3.413 ( 2.726 -1.192 -4.054) 5.029 3.491 ( -4.398 6.118 1.842) 7.757 3.564 ( 2.154 6.586 -0.644) 6.959 3.786 ( 3.474 -1.129 2.931) 4.683 3.815 ( 1.753 -2.247 -1.686) 3.311 3.909 ( -0.116 -1.774 -0.754) 1.931 3.993 ( 2.602 -0.930 5.826) 6.448 4.009 ( 1.112 -0.075 0.928) 1.450 4.132 ( 8.355 -3.406 0.264) 9.027 4.261 ( 5.400 -1.342 2.319) 6.028 4.290 ( -1.405 3.543 2.217) 4.409 4.428 ( -3.905 0.531 -4.972) 6.345 4.449 ( 5.498 0.270 -1.772) 5.783 4.474 ( 1.828 1.525 3.055) 3.873 4.542 ( -1.865 3.645 -0.324) 4.107 4.625 ( 3.252 3.666 -1.325) 5.076 4.697 ( 0.246 4.225 2.069) 4.711 4.765 ( 0.289 -2.693 1.748) 3.224 4.853 ( 3.559 0.032 -1.968) 4.067 4.946 ( -0.067 1.777 -3.064) 3.542 5.011 ( -1.524 -1.972 2.259) 3.364 5.037 ( -1.520 5.473 -5.308) 7.774 5.195 ( 4.724 0.382 0.077) 4.740 5.214 ( -2.099 1.299 -1.903) 3.117 5.327 ( 1.910 0.198 -3.733) 4.199 5.387 ( 2.627 3.271 0.310) 4.207 5.479 ( 1.092 5.008 0.339) 5.137 5.573 ( -0.924 -0.990 1.077) 1.731 5.610 ( 0.588 -0.603 0.853) 1.199 5.649 ( -4.134 -1.340 -2.848) 5.196 5.750 ( -1.915 -4.935 2.878) 6.025 6.017 ( -6.249 6.305 -4.864) 10.122 6.026 ( -2.538 3.941 0.011) 4.687 6.156 ( -4.786 2.263 -2.877) 6.025 6.244 ( -1.383 -0.678 3.765) 4.067 6.361 ( 3.177 -2.407 4.520) 6.027 6.405 ( -3.134 -7.249 -7.986) 11.231 6.582 ( -4.376 -1.025 2.380) 5.086 6.710 ( -5.828 -6.169 0.269) 8.491 7.032 ( 2.767 -1.710 5.754) 6.610 7.046 ( -1.127 -2.871 5.433) 6.248 7.238 ( -2.565 1.729 -1.041) 3.264 7.334 ( 0.911 -2.012 -1.913) 2.922 7.399 ( -3.740 4.838 1.055) 6.205 7.493 ( -3.805 0.525 5.101) 6.386 7.610 ( -3.200 3.676 -2.199) 5.347 7.676 ( -2.295 3.385 3.407) 5.323 7.810 ( 0.972 -3.793 3.518) 5.264 7.982 ( -1.710 -5.013 -3.189) 6.182 8.098 ( -2.196 3.073 -0.498) 3.810 8.125 ( -0.254 -0.721 -2.565) 2.676 8.222 ( 0.850 0.646 -8.364) 8.431 8.274 ( -0.894 -0.503 -7.184) 7.256 8.494 ( -4.920 1.579 7.418) 9.040 8.578 ( -1.706 -2.779 -3.431) 4.734 8.747 ( 3.264 -1.183 2.889) 4.516 8.878 ( 3.412 -5.891 -3.949) 7.870 9.178 ( -2.965 0.888 3.380) 4.583 9.227 ( 1.784 -1.372 -2.902) 3.673 9.367 ( -0.512 2.109 2.979) 3.686 9.518 ( -1.236 -3.340 4.539) 5.769 9.718 ( -4.116 4.973 -1.647) 6.662 9.919 ( -5.938 -1.905 -5.443) 8.277 10.060 ( 1.183 -0.465 5.250) 5.402 10.148 ( 1.423 -1.784 -1.255) 2.605 10.545 ( -5.254 2.836 6.730) 8.997 10.640 ( -4.170 -1.015 1.971) 4.722 10.660 ( 1.215 0.232 -0.012) 1.237 10.694 ( 0.532 -0.969 -2.348) 2.595 10.977 ( -2.516 0.236 -3.046) 3.958 11.023 ( -1.470 -1.618 -5.639) 6.048 11.340 ( 0.755 2.751 -2.342) 3.691 11.422 ( -3.284 0.873 2.833) 4.424 11.616 ( 1.548 3.050 5.993) 6.900 11.649 ( 2.761 -0.055 -1.363) 3.080 11.761 ( 0.181 0.184 -2.355) 2.369 11.847 ( 1.667 -2.915 2.514) 4.195 12.148 ( -4.116 -1.133 -2.645) 5.022 12.186 ( -6.879 -2.565 0.255) 7.346 12.445 ( 4.420 1.401 -5.468) 7.170 12.532 ( 7.880 -3.539 1.451) 8.759 12.715 ( -6.942 5.686 0.472) 8.986 12.922 ( -5.258 -3.146 1.775) 6.379 13.048 ( 3.736 2.709 1.794) 4.951 13.185 ( 2.404 -3.134 -2.089) 4.469 13.494 ( 2.771 0.590 2.162) 3.564 13.519 ( 1.461 -0.253 8.265) 8.397 13.602 ( 1.547 3.224 -3.782) 5.205 13.675 ( -3.340 0.551 -3.748) 5.050 13.815 ( -1.754 1.858 0.510) 2.605 13.843 ( -1.279 -0.267 -2.077) 2.454 15.364 ( 0.669 6.238 1.687) 6.497 15.395 ( -0.647 6.852 -1.214) 6.988 15.580 ( -0.394 -3.132 -0.528) 3.200 15.638 ( -3.781 -3.521 0.657) 5.208 16.547 ( 7.814 0.411 1.629) 7.993 16.645 ( 5.556 -2.925 -0.891) 6.342 17.321 ( -5.331 -1.935 -2.255) 6.104 17.348 ( -5.445 -2.966 1.824) 6.463 19.099 ( 13.302 0.603 -0.955) 13.350 19.132 ( 7.135 -0.509 2.075) 7.448 19.788 ( -9.245 2.252 -0.585) 9.533 19.854 ( -7.113 -0.214 -0.693) 7.150 21.573 ( 3.171 3.973 -2.774) 5.791 21.641 ( 5.742 2.297 3.116) 6.925 21.902 ( -9.005 1.955 -0.950) 9.264 22.049 ( -3.641 -2.866 -0.951) 4.731 22.682 ( 0.052 1.761 0.850) 1.956 22.817 ( -3.210 -1.586 3.030) 4.690 22.927 ( -5.003 -5.495 -5.310) 9.134 23.004 ( -7.669 -5.547 1.786) 9.632 24.195 ( 5.764 3.567 0.069) 6.779 24.363 ( 4.279 -3.918 -0.722) 5.847 24.607 ( -9.543 1.931 0.093) 9.737 24.738 ( -9.335 -3.065 1.073) 9.883 25.765 ( 2.724 1.348 -1.408) 3.350 25.853 ( -0.792 -2.220 -0.266) 2.372 25.874 ( -3.390 3.636 2.051) 5.378 26.004 ( -4.640 -1.776 -0.570) 5.001 26.877 ( -0.249 -0.623 0.400) 0.781 26.895 ( -1.012 -0.703 -0.322) 1.274 27.089 ( 0.696 2.390 0.018) 2.489 27.153 ( -2.977 1.364 0.464) 3.308 27.731 ( 3.255 -4.010 0.755) 5.220 27.827 ( -0.623 -6.841 -0.854) 6.923 28.270 ( -0.170 3.367 0.225) 3.379 28.292 ( -0.718 2.295 -0.137) 2.408 ======================= Grid point 105 (50/64) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 5.256 -7.978 1.702) 9.704 2.081 ( -3.316 -9.406 -0.985) 10.022 2.220 ( 1.178 -4.527 4.098) 6.219 2.263 ( 3.088 -4.232 1.933) 5.584 2.384 ( -7.881 0.575 2.661) 8.338 2.461 ( -2.289 -2.776 -5.483) 6.558 2.662 ( -2.502 0.408 2.180) 3.343 2.754 ( 1.918 -0.088 -3.883) 4.332 2.783 ( -3.789 -6.969 2.952) 8.464 2.834 ( 1.004 -4.515 0.103) 4.626 2.936 ( -5.405 1.810 -0.110) 5.701 2.986 ( -0.643 -0.180 -3.293) 3.360 3.176 ( -2.721 1.009 5.233) 5.983 3.234 ( -1.464 -0.266 3.611) 3.905 3.254 ( -0.615 1.637 -0.428) 1.800 3.341 ( 0.756 2.302 3.632) 4.366 3.384 ( 8.873 1.946 -7.681) 11.896 3.495 ( 5.349 4.510 -4.644) 8.398 3.511 ( 6.034 10.766 3.044) 12.711 3.662 ( 0.444 2.578 -6.148) 6.682 3.752 ( 1.041 0.321 3.001) 3.192 3.821 ( 0.015 -0.605 -2.337) 2.414 3.912 ( -2.868 -1.682 5.201) 6.173 4.013 ( 1.790 -4.145 -1.893) 4.896 4.094 ( 1.831 4.744 6.991) 8.645 4.235 ( -4.767 -0.562 -1.248) 4.959 4.270 ( -1.517 0.945 -3.285) 3.740 4.306 ( 2.302 1.858 -2.022) 3.583 4.361 ( 2.709 -1.208 -0.094) 2.968 4.398 ( -4.977 -0.916 -2.243) 5.536 4.531 ( 0.015 1.391 1.608) 2.126 4.576 ( 3.168 -1.538 -2.867) 4.541 4.656 ( -0.385 2.122 2.211) 3.089 4.700 ( -0.199 2.517 0.117) 2.528 4.810 ( 2.835 0.240 4.170) 5.048 4.870 ( -4.639 0.040 -0.052) 4.639 4.936 ( -0.765 0.833 -2.579) 2.816 4.956 ( 0.428 -0.492 1.971) 2.076 5.035 ( 2.503 3.385 -0.317) 4.221 5.154 ( -3.720 4.370 -1.942) 6.059 5.258 ( 2.583 -1.191 -0.704) 2.930 5.328 ( -0.084 0.612 -3.290) 3.348 5.437 ( 0.849 1.685 4.557) 4.932 5.509 ( -4.972 3.961 -1.631) 6.562 5.551 ( 1.955 1.846 1.058) 2.890 5.609 ( 2.188 -3.522 -0.718) 4.208 5.653 ( 4.504 -0.441 -1.418) 4.743 5.708 ( -1.008 -2.176 -2.748) 3.647 5.926 ( -1.611 3.546 1.166) 4.066 5.996 ( 0.551 1.681 -3.910) 4.292 6.086 ( -2.918 -0.700 3.528) 4.632 6.261 ( -2.017 -1.300 -9.017) 9.330 6.299 ( 2.158 -2.872 5.119) 6.254 6.401 ( -0.714 0.949 -1.522) 1.930 6.553 ( 0.141 0.929 5.374) 5.456 6.635 ( -1.663 -5.833 -1.240) 6.191 7.058 ( 0.227 -1.175 4.951) 5.094 7.106 ( 1.917 -2.564 1.926) 3.736 7.214 ( -0.777 0.744 2.222) 2.468 7.299 ( -1.407 -0.115 1.127) 1.807 7.390 ( 0.282 0.674 3.535) 3.610 7.467 ( -0.425 -0.517 2.617) 2.701 7.576 ( 0.574 1.535 -0.215) 1.653 7.628 ( -1.437 1.210 -0.901) 2.083 7.868 ( 2.513 -1.621 1.515) 3.353 7.930 ( -2.043 -2.232 -2.801) 4.123 8.068 ( -0.447 0.052 1.796) 1.851 8.098 ( -0.229 -0.909 -0.813) 1.241 8.176 ( -2.118 4.534 -3.179) 5.929 8.268 ( 0.423 -0.466 -10.058) 10.078 8.449 ( -1.004 1.980 4.288) 4.829 8.580 ( 3.536 -3.360 -4.968) 6.962 8.809 ( 1.845 -0.946 1.584) 2.609 8.925 ( 2.694 -5.667 -6.565) 9.082 9.136 ( -2.085 1.137 4.651) 5.222 9.224 ( -0.103 -2.231 -2.324) 3.224 9.447 ( 5.323 -1.658 6.265) 8.387 9.464 ( -4.600 -3.036 3.429) 6.491 9.698 ( 1.110 5.892 0.773) 6.045 9.804 ( -2.662 2.631 -7.370) 8.265 10.096 ( 0.501 -0.261 3.649) 3.692 10.182 ( 2.584 -2.071 -3.187) 4.596 10.455 ( -5.280 2.563 7.719) 9.697 10.559 ( -4.601 -2.324 8.582) 10.011 10.683 ( 2.804 2.384 -4.604) 5.895 10.776 ( 6.265 -1.530 -5.832) 8.694 10.928 ( -1.112 -0.230 -2.494) 2.740 10.995 ( 1.774 -2.492 -6.431) 7.122 11.318 ( -4.242 2.225 4.232) 6.391 11.386 ( 0.194 -0.167 0.121) 0.283 11.588 ( -2.874 1.277 3.287) 4.549 11.693 ( 2.998 -3.283 -3.369) 5.579 11.801 ( 0.332 2.178 5.864) 6.264 11.897 ( -1.640 -1.929 -1.223) 2.812 12.079 ( -0.551 -0.218 -0.232) 0.637 12.109 ( 2.260 -1.137 -2.168) 3.332 12.521 ( -8.109 5.036 -1.486) 9.660 12.532 ( 4.698 3.577 -1.287) 6.044 12.743 ( 7.552 -3.959 4.548) 9.664 12.804 ( -4.449 -5.376 -1.313) 7.100 13.141 ( 2.812 2.254 -0.642) 3.661 13.198 ( 0.931 -1.060 -5.011) 5.206 13.486 ( -3.673 2.186 8.305) 9.340 13.525 ( -3.641 0.164 6.192) 7.185 13.647 ( 3.528 2.396 -4.714) 6.357 13.659 ( 1.703 2.078 -5.643) 6.250 13.781 ( -1.388 0.893 1.755) 2.409 13.824 ( 0.470 -0.925 -1.781) 2.061 15.353 ( -1.989 5.926 2.607) 6.773 15.413 ( 2.509 6.452 -2.343) 7.308 15.559 ( -2.492 -3.454 2.062) 4.732 15.611 ( 2.373 -2.760 -2.214) 4.260 16.640 ( -1.056 0.786 3.243) 3.500 16.702 ( 0.236 -2.033 -1.714) 2.670 17.260 ( -2.244 -2.760 0.480) 3.589 17.279 ( 2.238 -3.452 -0.934) 4.218 19.171 ( -1.948 2.185 4.540) 5.402 19.269 ( 1.927 -2.534 -3.264) 4.559 19.710 ( 1.948 2.074 0.850) 2.970 19.755 ( -1.704 0.208 -2.849) 3.326 21.643 ( -6.554 3.554 0.479) 7.471 21.664 ( 6.184 2.245 -0.728) 6.619 21.883 ( 7.018 4.679 0.826) 8.476 21.944 ( -4.803 2.540 -3.527) 6.477 22.711 ( -0.595 -4.100 4.050) 5.794 22.773 ( -1.336 -5.835 0.838) 6.045 22.853 ( -3.019 -2.625 0.647) 4.053 22.919 ( 3.111 -3.872 -3.445) 6.045 24.315 ( 3.063 4.888 1.650) 6.000 24.354 ( -2.843 3.432 -1.567) 4.724 24.564 ( 0.423 -3.602 0.990) 3.760 24.582 ( -0.581 -4.789 -0.413) 4.842 25.797 ( -2.229 1.274 -0.409) 2.600 25.803 ( 1.598 0.862 -0.776) 1.975 25.892 ( 1.834 -0.630 2.291) 3.002 25.936 ( -1.138 -1.865 -1.413) 2.602 26.872 ( -0.770 -0.814 0.560) 1.252 26.884 ( 0.624 -1.535 -0.461) 1.720 27.109 ( -1.413 2.249 0.384) 2.683 27.115 ( 1.591 2.160 -0.038) 2.683 27.773 ( -0.087 -4.508 1.560) 4.771 27.813 ( 0.114 -6.054 -1.624) 6.269 28.269 ( 0.052 3.224 0.489) 3.261 28.280 ( -0.079 2.622 -0.403) 2.654 ======================= Grid point 106 (51/64) ======================= q-point: (-0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -12.858 -0.639 -2.501) 13.115 2.112 ( -3.611 -6.749 2.086) 7.933 2.127 ( -4.424 -6.775 -2.410) 8.443 2.224 ( -14.773 -5.158 -5.982) 16.751 2.264 ( -7.424 -2.107 4.333) 8.850 2.339 ( -0.372 -0.585 6.670) 6.706 2.523 ( -10.996 -3.139 3.919) 12.088 2.617 ( -10.422 -6.680 4.749) 13.259 2.720 ( -3.487 2.349 -0.128) 4.207 2.797 ( -2.785 -0.670 -4.045) 4.957 2.886 ( -1.091 0.061 1.637) 1.969 2.949 ( -1.453 -1.207 -0.156) 1.895 3.164 ( -3.243 4.858 -0.742) 5.888 3.188 ( -2.398 1.383 -0.303) 2.785 3.237 ( -1.496 -1.088 0.248) 1.866 3.330 ( -4.385 0.235 2.456) 5.032 3.450 ( -1.096 2.235 -0.781) 2.609 3.524 ( -1.740 10.613 -0.966) 10.798 3.591 ( -2.243 -1.033 -7.896) 8.273 3.659 ( 9.698 0.621 -3.604) 10.365 3.770 ( -7.517 -5.062 5.443) 10.571 3.792 ( -5.702 -3.200 -0.952) 6.607 3.897 ( 6.013 2.188 1.091) 6.491 4.070 ( 2.844 0.146 -1.760) 3.348 4.090 ( -7.343 1.210 -0.761) 7.481 4.154 ( -3.620 -1.768 2.374) 4.676 4.219 ( 0.241 0.668 0.949) 1.186 4.266 ( -0.051 -0.649 3.557) 3.616 4.319 ( -4.230 3.754 1.691) 5.903 4.410 ( 1.790 1.102 -1.214) 2.427 4.523 ( -6.159 -0.696 -1.411) 6.357 4.585 ( -0.826 -2.443 0.280) 2.595 4.609 ( -1.227 7.066 -1.176) 7.267 4.688 ( 1.435 4.344 2.633) 5.278 4.827 ( -3.530 -0.943 -1.392) 3.910 4.849 ( 1.267 -0.704 1.501) 2.086 4.908 ( -1.605 0.443 -1.594) 2.305 4.976 ( 1.962 -1.805 -5.197) 5.841 5.076 ( 0.073 4.818 -0.265) 4.826 5.115 ( 1.781 3.101 1.383) 3.835 5.288 ( -0.521 -0.917 -1.658) 1.965 5.319 ( -1.667 0.414 -4.049) 4.398 5.381 ( -3.975 3.837 -0.209) 5.529 5.463 ( -0.255 0.977 0.027) 1.011 5.550 ( 1.990 2.157 3.054) 4.236 5.642 ( 3.293 -1.634 -5.954) 6.997 5.692 ( 1.299 -0.908 -1.788) 2.389 5.831 ( 6.864 -2.651 -0.771) 7.399 5.920 ( 0.169 4.547 2.449) 5.167 6.028 ( 3.553 1.876 -1.329) 4.232 6.062 ( 1.070 1.426 6.090) 6.346 6.282 ( 3.222 -3.304 -0.914) 4.704 6.300 ( -1.452 -4.125 -2.014) 4.814 6.427 ( 0.092 -4.688 -0.482) 4.713 6.561 ( 3.622 2.891 3.462) 5.784 6.682 ( 4.289 -1.930 2.810) 5.479 7.094 ( 1.969 -0.169 4.213) 4.654 7.121 ( 0.287 -0.267 -1.943) 1.982 7.198 ( -1.006 -0.026 4.652) 4.760 7.286 ( -0.919 -4.580 -4.075) 6.199 7.416 ( 1.593 2.474 1.913) 3.510 7.491 ( 1.899 0.022 4.393) 4.785 7.619 ( 2.110 1.471 0.084) 2.573 7.654 ( 4.000 -0.567 4.321) 5.915 7.881 ( -2.804 -2.160 0.008) 3.539 7.905 ( 1.723 -2.181 -2.034) 3.444 8.083 ( 1.230 -0.605 -0.644) 1.514 8.125 ( 0.294 4.574 -3.745) 5.919 8.149 ( 3.085 -1.351 -0.365) 3.387 8.241 ( 1.448 0.679 -4.534) 4.808 8.474 ( 1.753 2.579 3.787) 4.905 8.653 ( 4.190 -5.055 -3.095) 7.258 8.823 ( -0.145 -0.988 -4.493) 4.603 8.936 ( 0.884 -4.357 -7.307) 8.553 9.136 ( 0.174 0.649 3.938) 3.994 9.208 ( -1.764 -2.714 2.760) 4.254 9.404 ( -1.289 2.206 -0.685) 2.646 9.588 ( 5.890 -4.403 5.767) 9.346 9.684 ( -1.013 6.282 -4.828) 7.987 9.820 ( 5.258 2.659 1.079) 5.990 10.106 ( -0.522 -0.118 2.297) 2.359 10.213 ( 1.385 -3.963 -5.884) 7.228 10.417 ( -0.809 2.884 8.336) 8.858 10.527 ( -1.137 -2.586 7.307) 7.834 10.731 ( 2.664 3.443 -2.809) 5.181 10.864 ( 3.470 -2.866 -3.214) 5.530 10.926 ( 2.916 2.607 -5.288) 6.577 11.056 ( 5.538 -3.350 -6.459) 9.144 11.263 ( -1.653 1.860 4.210) 4.891 11.383 ( -1.528 -3.562 5.853) 7.020 11.572 ( -0.125 3.903 0.314) 3.918 11.762 ( -6.181 1.208 -0.824) 6.351 11.770 ( 3.793 -4.556 -3.671) 6.973 11.793 ( -1.891 -0.435 6.080) 6.383 12.150 ( 5.064 1.293 -2.483) 5.787 12.206 ( 6.480 -1.059 -1.253) 6.684 12.354 ( -7.349 3.602 0.952) 8.239 12.551 ( -4.851 -4.092 -1.168) 6.453 12.753 ( 4.587 3.919 -1.778) 6.289 12.920 ( 3.490 -1.746 2.139) 4.450 13.129 ( 0.866 0.333 -1.794) 2.020 13.208 ( -1.016 -2.292 -4.992) 5.586 13.437 ( -4.026 0.414 5.411) 6.757 13.472 ( -2.391 -0.803 7.223) 7.651 13.646 ( 0.526 3.752 -1.656) 4.135 13.700 ( 2.060 2.331 -6.053) 6.806 13.779 ( 0.571 1.126 2.449) 2.755 13.847 ( 1.648 -0.665 -1.428) 2.280 15.323 ( -1.468 5.662 1.845) 6.133 15.453 ( 1.680 6.607 -2.497) 7.260 15.544 ( 0.938 -3.150 1.481) 3.605 15.673 ( 3.618 -2.869 -1.091) 4.744 16.531 ( -9.100 0.551 2.284) 9.399 16.643 ( -5.383 -3.544 -0.506) 6.465 17.283 ( 4.237 -0.022 0.498) 4.267 17.382 ( 6.477 -4.378 -0.733) 7.852 19.038 ( -13.618 3.998 2.013) 14.335 19.205 ( -6.345 -4.063 -1.518) 7.686 19.802 ( 7.953 1.676 -1.654) 8.295 19.837 ( 8.951 0.382 0.540) 8.976 21.526 ( -4.467 6.210 0.456) 7.664 21.768 ( 0.892 -3.339 -5.523) 6.515 21.865 ( 2.465 4.321 2.050) 5.380 22.042 ( 5.946 -1.809 -0.604) 6.244 22.683 ( -0.364 0.343 0.821) 0.962 22.768 ( 0.707 -0.038 4.937) 4.988 22.894 ( 6.017 -5.064 -1.935) 8.099 23.037 ( 7.638 -6.130 -0.790) 9.825 24.226 ( -4.738 2.510 -1.778) 5.649 24.349 ( -4.393 -1.890 0.237) 4.789 24.594 ( 8.612 1.674 0.780) 8.807 24.738 ( 9.097 -3.682 1.042) 9.869 25.751 ( -2.178 2.271 -0.409) 3.172 25.844 ( 2.248 -0.811 0.369) 2.418 25.922 ( 2.103 0.387 -0.988) 2.356 25.981 ( 4.348 -1.155 0.690) 4.552 26.864 ( -0.062 0.034 0.750) 0.754 26.905 ( 1.242 -0.988 -0.485) 1.659 27.089 ( -0.570 2.484 0.094) 2.551 27.163 ( 3.129 1.326 -0.083) 3.400 27.735 ( -3.401 -4.312 0.603) 5.525 27.823 ( 0.797 -6.787 -0.718) 6.872 28.272 ( 0.025 3.301 0.152) 3.304 28.289 ( 0.816 2.381 -0.046) 2.518 ======================= Grid point 107 (52/64) ======================= q-point: (-0.30 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -20.596 4.784 0.138) 21.145 1.918 ( -10.061 -0.920 -1.430) 10.203 1.938 ( -10.811 5.021 -1.523) 12.017 2.038 ( -11.998 -9.363 1.253) 15.270 2.107 ( -6.950 -4.613 -2.834) 8.810 2.155 ( -13.611 -3.260 3.849) 14.516 2.359 ( -8.108 -0.264 -2.155) 8.394 2.484 ( -3.384 -2.086 7.128) 8.162 2.669 ( -1.484 -1.923 -2.608) 3.563 2.758 ( 0.080 -4.775 -3.642) 6.006 2.836 ( -3.695 0.293 -1.013) 3.843 2.919 ( -1.736 0.103 2.406) 2.968 3.038 ( -8.975 2.958 -7.318) 11.952 3.098 ( -4.775 3.515 1.145) 6.039 3.169 ( -3.560 0.611 1.240) 3.819 3.234 ( -5.628 -1.380 2.942) 6.498 3.410 ( -12.831 -3.167 0.200) 13.217 3.427 ( -2.025 -3.145 1.866) 4.180 3.511 ( -6.575 -0.194 0.061) 6.578 3.623 ( -3.644 -3.229 3.692) 6.111 3.654 ( -2.623 -1.103 3.719) 4.683 3.840 ( 3.761 -3.174 2.025) 5.321 3.906 ( -9.554 5.195 -0.315) 10.880 3.915 ( -9.311 -1.333 0.780) 9.438 4.004 ( -1.719 1.056 1.274) 2.386 4.051 ( -3.726 -3.180 0.165) 4.901 4.234 ( 0.598 -1.249 -2.070) 2.491 4.270 ( -7.053 -0.710 1.783) 7.310 4.357 ( -0.610 4.533 -5.937) 7.494 4.394 ( 1.092 5.446 1.851) 5.855 4.431 ( 3.201 3.015 8.404) 9.485 4.546 ( -3.007 0.750 -2.166) 3.781 4.609 ( 0.203 3.263 -4.139) 5.275 4.678 ( -5.062 7.330 4.320) 9.900 4.789 ( -1.525 -2.698 -3.818) 4.917 4.836 ( 0.035 1.339 -4.290) 4.494 4.852 ( -2.189 0.662 -3.213) 3.944 4.981 ( 1.240 6.093 -2.393) 6.663 5.046 ( -2.291 -3.208 1.597) 4.253 5.125 ( -1.176 -0.083 -1.558) 1.953 5.243 ( 0.460 -1.448 -1.071) 1.859 5.304 ( -0.654 -0.855 -3.673) 3.828 5.351 ( 1.387 4.269 0.938) 4.586 5.478 ( 1.336 0.388 -1.159) 1.811 5.637 ( 2.623 3.599 0.730) 4.513 5.670 ( -0.991 -2.770 -0.917) 3.081 5.706 ( 3.103 -1.967 -4.443) 5.765 5.871 ( -0.142 -3.939 -3.792) 5.470 6.008 ( 4.758 8.065 6.169) 11.213 6.115 ( 4.119 6.094 1.764) 7.564 6.178 ( 6.727 0.449 1.247) 6.856 6.264 ( 0.810 -2.260 1.230) 2.698 6.302 ( 1.551 -4.629 0.792) 4.945 6.476 ( 4.210 -7.586 -0.202) 8.678 6.685 ( 4.395 3.185 0.688) 5.472 6.776 ( 4.115 -3.337 4.738) 7.108 7.119 ( 1.350 0.365 -7.028) 7.166 7.173 ( 0.945 1.744 6.788) 7.072 7.208 ( 2.446 -3.553 -2.451) 4.961 7.271 ( 1.016 -2.867 -1.097) 3.234 7.465 ( 3.720 2.791 -0.265) 4.658 7.563 ( 1.701 2.364 7.806) 8.332 7.652 ( 2.199 -0.967 -0.634) 2.485 7.766 ( -0.583 -3.727 11.726) 12.318 7.812 ( 0.116 0.614 -1.225) 1.375 7.951 ( 3.888 -2.957 -5.245) 7.167 8.079 ( 1.733 -0.293 -6.209) 6.452 8.173 ( 1.585 3.608 2.988) 4.946 8.200 ( 4.952 -2.839 -6.521) 8.666 8.303 ( 2.620 -1.967 1.685) 3.684 8.558 ( 5.203 2.510 4.199) 7.142 8.704 ( 0.712 -5.185 0.854) 5.303 8.795 ( 1.632 0.037 -9.917) 10.051 8.909 ( -0.825 -3.399 -6.641) 7.506 9.142 ( -0.550 0.922 2.826) 3.023 9.210 ( 0.761 -2.357 6.186) 6.663 9.395 ( 0.351 4.322 -1.107) 4.475 9.632 ( -0.214 -3.025 -7.381) 7.980 9.758 ( 6.541 7.449 5.734) 11.453 9.963 ( 5.736 1.512 4.767) 7.610 10.109 ( 1.091 -2.302 2.402) 3.501 10.188 ( -0.234 -6.988 -7.914) 10.560 10.478 ( 3.222 2.956 7.060) 8.304 10.569 ( 2.749 -1.799 5.042) 6.018 10.750 ( -0.038 3.965 -2.423) 4.647 10.903 ( 0.964 -3.467 1.770) 4.010 10.983 ( 3.162 4.028 -5.151) 7.264 11.149 ( 6.077 -2.218 -6.734) 9.338 11.278 ( 1.049 0.129 2.861) 3.050 11.392 ( 0.547 -3.587 7.138) 8.008 11.558 ( -0.696 3.392 -0.731) 3.539 11.619 ( -4.728 2.647 -3.351) 6.371 11.813 ( 2.259 -0.566 0.802) 2.463 11.868 ( 4.132 -1.689 -0.142) 4.467 12.196 ( -0.775 1.614 -0.795) 1.958 12.288 ( 1.773 0.495 2.197) 2.866 12.317 ( 3.882 -2.295 -1.489) 4.749 12.424 ( -4.205 -6.461 -2.135) 7.999 12.848 ( -1.127 6.852 -3.485) 7.770 12.890 ( -0.929 4.863 4.917) 6.978 13.075 ( -8.401 -2.640 -0.563) 8.824 13.223 ( 3.369 -6.972 -4.630) 9.022 13.396 ( -0.006 1.020 2.269) 2.488 13.469 ( -0.025 -2.101 2.868) 3.555 13.696 ( 4.613 2.745 -0.017) 5.368 13.733 ( 4.088 3.345 -2.845) 5.999 13.801 ( 0.242 0.567 3.328) 3.385 13.857 ( -0.235 -0.189 -1.534) 1.563 15.311 ( -0.336 6.713 1.588) 6.906 15.465 ( 0.551 7.459 -2.218) 7.801 15.592 ( 2.699 -3.556 0.135) 4.466 15.738 ( 2.860 -3.423 0.273) 4.469 16.334 ( -10.309 0.334 2.222) 10.551 16.508 ( -7.234 -5.830 -1.096) 9.355 17.406 ( 6.746 0.839 1.607) 6.985 17.492 ( 4.399 -3.052 -1.580) 5.582 18.609 ( -29.162 7.007 0.129) 29.992 18.983 ( -16.731 -10.901 -0.903) 19.990 20.015 ( 10.608 3.016 -0.265) 11.032 20.093 ( 18.100 -0.361 -0.375) 18.108 21.463 ( -1.841 7.326 0.028) 7.554 21.719 ( -0.296 0.396 -8.001) 8.016 21.971 ( 2.098 -8.033 8.664) 12.000 22.116 ( 2.566 -8.473 -1.435) 8.969 22.745 ( 7.468 4.584 -0.788) 8.798 22.898 ( 9.656 6.347 4.636) 12.450 23.021 ( 6.742 -6.300 -1.622) 9.369 23.195 ( 7.720 -5.399 -0.301) 9.426 24.136 ( -3.209 0.946 -3.787) 5.053 24.247 ( -5.054 -4.711 0.147) 6.911 24.820 ( 11.426 2.485 1.875) 11.842 24.932 ( 9.307 -3.499 1.729) 10.092 25.701 ( -2.375 4.724 -1.226) 5.428 25.894 ( 2.423 -3.570 0.353) 4.329 25.988 ( 4.381 2.662 -0.895) 5.204 26.079 ( 4.534 -1.105 1.100) 4.795 26.878 ( 1.082 1.356 1.695) 2.426 26.921 ( 0.680 1.475 -1.288) 2.073 27.088 ( 0.420 2.208 -0.159) 2.253 27.244 ( 4.771 -0.177 -0.335) 4.786 27.651 ( -4.757 -3.360 0.125) 5.825 27.837 ( 0.809 -7.885 -0.319) 7.933 28.264 ( -1.155 3.346 0.059) 3.540 28.299 ( -0.187 1.641 0.044) 1.652 ======================= Grid point 108 (53/64) ======================= q-point: (-0.20 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -12.623 11.758 9.891) 19.885 1.593 ( -16.851 4.011 -3.355) 17.644 1.745 ( -9.277 6.373 1.452) 11.349 1.801 ( -10.386 1.732 5.930) 12.084 1.953 ( -10.142 -5.742 1.608) 11.765 2.015 ( 1.445 -0.217 -14.091) 14.167 2.207 ( -2.425 -3.768 -10.598) 11.506 2.401 ( -12.922 2.135 1.706) 13.208 2.595 ( -4.853 -6.861 -5.667) 10.136 2.672 ( -9.575 -5.420 5.005) 12.087 2.764 ( -3.675 -1.025 -2.616) 4.626 2.822 ( -4.157 -2.757 -4.880) 6.978 2.876 ( -3.365 0.717 1.884) 3.922 2.993 ( -5.413 -1.328 -0.931) 5.650 3.052 ( -10.470 -3.633 4.232) 11.863 3.119 ( -3.099 -4.813 8.198) 9.999 3.262 ( -0.528 2.969 5.504) 6.276 3.376 ( -3.013 -1.535 0.662) 3.446 3.450 ( -4.774 1.519 7.413) 8.947 3.555 ( -7.639 -1.726 4.603) 9.084 3.581 ( -2.610 -1.974 -0.813) 3.372 3.744 ( -6.424 1.625 -4.255) 7.875 3.756 ( -3.193 -1.950 1.301) 3.961 3.792 ( -5.061 -5.422 0.734) 7.453 3.959 ( -4.572 -1.642 0.887) 4.938 4.016 ( -6.085 -0.324 5.697) 8.342 4.126 ( -2.238 1.169 -5.880) 6.400 4.185 ( -4.613 1.334 3.648) 6.031 4.292 ( -4.083 4.598 -5.354) 8.153 4.387 ( 1.869 0.342 -7.819) 8.047 4.448 ( -7.003 5.866 4.033) 9.986 4.514 ( -2.904 2.287 -2.577) 4.506 4.563 ( -0.852 5.172 -2.924) 6.002 4.610 ( -0.254 2.538 2.803) 3.790 4.715 ( 1.051 1.549 -3.285) 3.781 4.797 ( -2.599 -0.320 2.065) 3.334 4.923 ( 3.112 1.186 -4.579) 5.662 4.978 ( 0.501 3.412 2.729) 4.398 5.048 ( 0.979 0.786 0.631) 1.405 5.117 ( 1.421 -0.356 1.760) 2.290 5.238 ( -1.749 0.801 -1.338) 2.344 5.292 ( 1.036 -2.975 -3.240) 4.519 5.400 ( 1.904 -1.047 6.330) 6.693 5.502 ( 1.729 -3.047 -2.997) 4.610 5.587 ( -3.881 2.407 -1.316) 4.753 5.686 ( 1.742 -0.328 -4.617) 4.946 5.755 ( 1.418 -1.029 0.730) 1.898 5.846 ( -0.652 -0.221 -2.265) 2.367 6.051 ( -0.639 1.608 2.256) 2.843 6.208 ( 4.174 4.033 1.191) 5.925 6.287 ( 5.192 -2.473 0.358) 5.762 6.343 ( 6.101 5.719 0.404) 8.373 6.477 ( 8.842 -2.139 4.274) 10.051 6.532 ( 1.943 -4.000 -1.063) 4.572 6.718 ( 0.220 4.553 0.112) 4.559 6.878 ( 3.969 -4.153 0.559) 5.772 7.073 ( -4.749 1.628 -3.988) 6.412 7.164 ( -1.005 1.956 -0.242) 2.213 7.220 ( -1.708 -5.112 -6.333) 8.316 7.308 ( 0.869 -5.303 0.768) 5.428 7.586 ( 7.183 2.171 2.074) 7.785 7.606 ( 1.258 2.471 4.870) 5.604 7.711 ( -0.505 -2.321 7.231) 7.611 7.739 ( 5.049 -2.867 -0.338) 5.816 7.885 ( 0.043 -2.841 6.777) 7.349 7.980 ( -1.685 -5.867 -4.950) 7.859 8.104 ( 0.993 0.167 -3.385) 3.532 8.203 ( 1.562 0.503 2.091) 2.658 8.276 ( 2.083 -1.651 -6.438) 6.966 8.351 ( 5.624 -3.203 0.989) 6.547 8.669 ( 4.341 2.697 -0.310) 5.121 8.744 ( 3.793 1.022 -3.100) 5.004 8.817 ( 1.429 -3.148 -5.251) 6.287 8.883 ( 1.941 -3.503 -2.633) 4.793 9.167 ( 1.463 1.513 5.704) 6.080 9.262 ( 1.537 -2.691 6.940) 7.600 9.407 ( 1.471 3.798 -0.520) 4.106 9.586 ( -1.711 -2.758 -5.635) 6.503 9.871 ( 1.789 8.948 3.585) 9.804 10.067 ( 4.710 1.106 3.309) 5.861 10.098 ( -2.084 -3.038 -2.333) 4.361 10.253 ( 4.793 -5.536 -0.609) 7.348 10.568 ( 3.661 1.487 3.319) 5.160 10.644 ( 1.846 -1.931 4.317) 5.077 10.740 ( 1.310 4.298 -2.011) 4.923 10.913 ( -0.394 -4.651 0.779) 4.732 10.993 ( -0.539 3.755 -1.140) 3.962 11.216 ( 0.544 -6.033 -5.379) 8.101 11.345 ( 7.094 3.495 2.701) 8.357 11.445 ( 2.088 -0.070 2.241) 3.064 11.542 ( -0.387 4.371 -1.591) 4.668 11.615 ( 5.704 0.514 1.080) 5.828 11.847 ( 1.022 0.754 -1.007) 1.621 11.933 ( 2.707 -0.993 -0.808) 2.995 12.220 ( 3.663 -1.313 1.972) 4.363 12.306 ( 0.400 -4.697 -3.335) 5.775 12.395 ( 4.533 -0.353 3.066) 5.484 12.415 ( 1.347 -0.772 1.103) 1.905 12.739 ( -4.116 4.084 -4.385) 7.270 12.851 ( -6.924 4.542 -1.068) 8.349 12.905 ( -7.371 -3.977 7.422) 11.191 13.150 ( -7.388 -8.216 -7.541) 13.377 13.460 ( 1.317 2.094 -1.752) 3.032 13.494 ( 2.488 -0.364 1.924) 3.166 13.783 ( 2.644 1.927 -0.071) 3.272 13.820 ( 4.108 2.179 0.078) 4.651 13.846 ( 2.659 0.483 -0.792) 2.817 13.895 ( 7.684 -0.577 3.187) 8.339 15.316 ( -0.051 8.576 1.438) 8.696 15.448 ( -1.890 11.174 -1.966) 11.502 15.640 ( 2.325 -6.012 -1.677) 6.660 15.796 ( 2.690 -4.929 1.853) 5.913 16.153 ( -8.293 -0.503 3.081) 8.861 16.346 ( -7.936 -7.822 -3.217) 11.598 17.540 ( 4.795 -0.139 1.301) 4.971 17.552 ( 2.112 -0.548 -0.990) 2.397 17.872 ( -41.665 7.119 -0.098) 42.269 18.421 ( -40.125 -21.805 -4.918) 45.931 20.223 ( 10.036 8.279 2.546) 13.257 20.536 ( 23.926 -6.128 -0.204) 24.699 21.465 ( 2.676 9.062 -0.224) 9.451 21.709 ( 0.962 2.938 -3.934) 5.003 21.997 ( -1.601 -12.034 7.484) 14.262 22.152 ( 1.414 -13.686 -0.366) 13.764 22.985 ( 14.626 4.537 0.724) 15.330 23.148 ( 12.987 5.765 2.792) 14.481 23.153 ( 7.150 -3.791 -2.328) 8.421 23.341 ( 6.816 -3.106 -0.838) 7.537 24.068 ( -1.816 0.519 -4.815) 5.172 24.145 ( -5.572 -4.805 1.736) 7.560 24.997 ( 4.318 1.735 1.669) 4.944 25.123 ( 7.467 -6.090 2.742) 10.018 25.664 ( 0.432 7.781 -3.127) 8.397 25.931 ( 0.475 -5.111 0.556) 5.163 26.079 ( 4.193 1.596 1.142) 4.629 26.158 ( 2.775 -2.027 0.830) 3.536 26.913 ( 1.228 2.391 3.470) 4.389 26.943 ( 2.758 3.178 -3.026) 5.183 27.093 ( -0.110 3.160 -0.350) 3.181 27.333 ( 3.314 -3.763 -1.729) 5.304 27.562 ( -2.936 1.933 0.114) 3.517 27.860 ( 1.741 -7.716 -0.166) 7.912 28.214 ( -3.885 3.149 0.010) 5.001 28.272 ( -2.663 0.491 0.060) 2.708 ======================= Grid point 109 (54/64) ======================= q-point: (-0.10 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -0.528 16.995 15.584) 23.064 1.334 ( -5.753 16.879 -7.485) 19.340 1.571 ( -8.192 8.132 -3.853) 12.169 1.712 ( -12.848 3.092 10.685) 16.994 1.793 ( 9.188 -5.501 0.727) 10.734 1.931 ( -17.967 4.466 15.955) 24.440 2.028 ( -1.200 2.006 -20.390) 20.524 2.235 ( 5.307 -3.231 -12.712) 14.149 2.471 ( -7.065 -8.056 1.354) 10.800 2.523 ( -8.300 -9.624 5.527) 13.859 2.715 ( -4.010 -3.013 -4.405) 6.675 2.750 ( -0.609 -1.087 -1.316) 1.813 2.803 ( -6.292 -2.501 -0.811) 6.820 2.873 ( -3.065 -4.282 -0.313) 5.275 2.924 ( -4.182 -2.162 0.869) 4.788 3.067 ( -5.511 -3.172 3.185) 7.112 3.198 ( -7.820 1.013 -0.241) 7.889 3.297 ( -7.820 -5.557 2.586) 9.936 3.347 ( 2.572 3.012 4.075) 5.682 3.517 ( -3.047 -2.558 0.330) 3.992 3.563 ( 1.752 0.438 3.485) 3.925 3.610 ( -3.104 -0.223 -0.733) 3.197 3.666 ( -3.090 -2.298 -4.285) 5.761 3.792 ( 0.723 -4.846 5.984) 7.734 3.866 ( -2.064 2.425 -0.976) 3.330 3.923 ( -1.190 1.180 -0.501) 1.749 4.075 ( -1.096 3.181 -0.969) 3.501 4.181 ( -1.520 1.744 3.990) 4.612 4.225 ( 0.932 1.598 -8.316) 8.520 4.278 ( -7.043 2.010 1.685) 7.515 4.359 ( -2.327 -0.518 -0.056) 2.384 4.510 ( 3.317 -2.151 -1.825) 4.355 4.543 ( -0.763 5.624 -8.525) 10.242 4.599 ( -2.399 1.824 3.617) 4.708 4.712 ( -2.500 0.585 0.505) 2.617 4.792 ( 2.485 -1.113 4.716) 5.445 4.928 ( 1.339 9.291 -4.740) 10.516 5.030 ( -0.425 3.485 0.902) 3.624 5.072 ( 2.086 0.367 2.136) 3.008 5.155 ( 0.673 2.613 1.593) 3.133 5.205 ( 0.577 -1.122 -2.141) 2.485 5.300 ( -0.176 -2.962 -0.584) 3.024 5.411 ( -2.478 -0.427 4.357) 5.030 5.501 ( -3.106 2.412 -3.730) 5.420 5.567 ( 2.701 -8.004 3.610) 9.186 5.694 ( 1.060 -2.617 -6.187) 6.801 5.772 ( -0.270 1.229 4.499) 4.672 5.822 ( -1.835 0.704 2.742) 3.373 6.106 ( 5.827 3.999 -0.409) 7.079 6.259 ( 0.140 4.890 2.846) 5.660 6.348 ( 1.185 -4.498 -2.315) 5.196 6.470 ( 5.455 7.069 -1.457) 9.047 6.545 ( -0.039 2.360 -3.191) 3.969 6.572 ( -0.686 -4.062 3.290) 5.272 6.720 ( -0.540 3.819 1.383) 4.098 6.945 ( -7.492 1.208 -0.559) 7.610 6.980 ( 7.219 -4.905 -6.219) 10.716 7.048 ( -10.448 -6.198 -3.518) 12.647 7.165 ( -1.209 -1.829 -1.296) 2.546 7.256 ( -6.002 -5.257 -2.679) 8.416 7.632 ( -1.218 1.440 -1.966) 2.724 7.697 ( -0.629 -3.077 9.080) 9.608 7.755 ( 1.877 0.994 3.703) 4.269 7.819 ( 1.841 0.320 1.064) 2.150 7.858 ( 2.896 -5.355 0.660) 6.124 7.922 ( -2.002 -3.252 6.405) 7.457 8.104 ( 1.098 0.633 -3.125) 3.373 8.230 ( 1.090 -3.609 -5.654) 6.796 8.339 ( 5.701 1.828 -1.654) 6.211 8.487 ( 5.630 -3.013 -0.941) 6.454 8.682 ( -2.283 -1.034 -9.190) 9.525 8.759 ( -1.229 -2.612 -2.566) 3.862 8.880 ( 6.716 1.737 4.893) 8.488 8.993 ( 7.127 -3.356 1.507) 8.021 9.197 ( -1.847 1.813 7.478) 7.914 9.290 ( -1.623 -2.070 5.027) 5.673 9.468 ( 4.294 3.006 -0.188) 5.245 9.566 ( 1.807 -1.163 -1.461) 2.598 9.890 ( 0.076 3.409 1.227) 3.623 10.000 ( -5.414 -3.342 -4.545) 7.819 10.180 ( 3.116 2.589 2.068) 4.549 10.253 ( -3.467 0.105 -0.546) 3.511 10.641 ( 1.177 -1.984 2.370) 3.307 10.665 ( 0.586 -0.941 1.396) 1.783 10.798 ( 2.982 -0.590 0.970) 3.190 10.892 ( -1.889 -4.128 -0.347) 4.553 11.014 ( 3.504 2.736 2.463) 5.082 11.174 ( -1.573 -4.491 -3.137) 5.699 11.483 ( 1.830 4.452 -0.736) 4.869 11.522 ( 3.041 2.159 -3.051) 4.818 11.597 ( 9.001 5.152 2.174) 10.597 11.769 ( 5.135 -3.491 0.715) 6.250 11.906 ( 8.010 3.391 3.490) 9.372 12.014 ( 7.005 0.038 1.103) 7.092 12.269 ( -4.718 -3.617 -2.265) 6.362 12.307 ( 1.966 -4.986 2.120) 5.764 12.461 ( 2.835 0.143 2.373) 3.700 12.495 ( 3.892 -0.429 1.267) 4.115 12.699 ( 2.413 1.999 -3.105) 4.411 12.719 ( -6.010 1.934 1.725) 6.545 12.828 ( -1.333 -3.014 5.444) 6.364 12.944 ( -6.916 -7.484 -8.575) 13.318 13.393 ( -4.788 1.677 -1.022) 5.175 13.481 ( -5.556 -3.771 1.305) 6.840 13.881 ( 5.833 1.737 -1.855) 6.362 13.896 ( 5.481 1.642 2.558) 6.267 13.953 ( 5.644 1.782 -2.888) 6.586 14.053 ( 4.809 -0.867 2.219) 5.367 15.303 ( -1.633 10.663 1.215) 10.856 15.394 ( -1.345 12.466 -1.924) 12.685 15.672 ( 0.402 -6.257 -0.865) 6.329 15.853 ( 0.409 -9.617 1.287) 9.711 16.000 ( -7.496 1.239 2.274) 7.931 16.187 ( -4.769 -8.063 -4.338) 10.323 16.982 ( -37.742 4.438 -0.412) 38.005 17.322 ( -59.950 -16.349 -4.694) 62.316 17.591 ( 1.234 0.615 0.342) 1.420 17.643 ( 2.613 -1.674 -0.603) 3.161 20.468 ( 11.498 7.514 13.528) 19.279 20.962 ( 15.201 -14.377 -2.637) 21.089 21.583 ( 8.522 8.503 0.595) 12.053 21.733 ( 3.137 4.891 -0.916) 5.882 21.958 ( -5.227 -9.375 7.257) 12.957 22.168 ( 0.014 -15.301 -3.841) 15.776 23.238 ( 6.578 4.729 3.952) 9.014 23.281 ( 7.736 3.009 -6.600) 10.605 23.437 ( 11.531 -1.584 0.374) 11.645 23.491 ( 10.786 -2.934 0.009) 11.178 24.011 ( -5.797 1.881 0.490) 6.114 24.054 ( -0.765 -0.716 0.507) 1.164 25.028 ( -0.408 0.668 1.210) 1.441 25.184 ( -1.806 -7.272 0.847) 7.541 25.708 ( 2.488 5.375 0.843) 5.983 25.903 ( -3.120 -4.928 0.029) 5.832 26.143 ( 0.517 -1.342 5.749) 5.927 26.211 ( 3.620 -4.755 -3.791) 7.077 26.957 ( 0.774 2.705 5.343) 6.038 26.999 ( 4.032 2.778 -5.217) 7.155 27.082 ( -0.184 4.072 -0.105) 4.077 27.308 ( -4.500 -6.669 -3.297) 8.694 27.606 ( 7.275 9.785 0.127) 12.194 27.895 ( 0.542 -4.207 -0.593) 4.283 28.115 ( -4.705 2.209 -0.222) 5.202 28.194 ( -4.719 -0.900 0.085) 4.805 ======================= Grid point 110 (55/64) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -5.545 -12.104 3.118) 13.674 1.349 ( -5.545 12.104 3.118) 13.674 1.666 ( -5.763 -7.197 7.280) 11.748 1.666 ( -5.763 7.197 7.280) 11.748 1.918 ( -2.728 -6.318 -5.973) 9.112 1.918 ( -2.728 6.318 -5.973) 9.112 2.037 ( 6.469 -5.187 9.071) 12.290 2.037 ( 6.469 5.187 9.071) 12.290 2.345 ( 6.420 -5.939 -6.225) 10.735 2.345 ( 6.420 5.939 -6.225) 10.735 2.623 ( -2.245 -4.707 0.771) 5.271 2.623 ( -2.245 4.707 0.771) 5.271 2.773 ( 2.941 -2.028 -0.863) 3.675 2.773 ( 2.941 2.028 -0.863) 3.675 2.881 ( -3.169 -3.444 -5.663) 7.347 2.881 ( -3.169 3.444 -5.663) 7.347 3.210 ( 1.232 -3.999 0.312) 4.196 3.210 ( 1.232 3.999 0.312) 4.196 3.431 ( -0.572 -0.678 1.304) 1.577 3.431 ( -0.572 0.678 1.304) 1.577 3.542 ( -0.806 -3.962 0.155) 4.047 3.542 ( -0.806 3.962 0.155) 4.047 3.723 ( 2.891 -4.850 -0.848) 5.710 3.723 ( 2.891 4.850 -0.848) 5.710 3.941 ( 1.911 -1.787 3.415) 4.302 3.941 ( 1.911 1.787 3.415) 4.302 4.079 ( -3.361 -1.597 -5.871) 6.951 4.079 ( -3.361 1.597 -5.871) 6.951 4.225 ( -0.523 -3.890 1.317) 4.140 4.225 ( -0.523 3.890 1.317) 4.140 4.424 ( -1.623 -6.803 6.675) 9.668 4.424 ( -1.623 6.803 6.675) 9.668 4.589 ( 0.977 -1.835 -5.038) 5.450 4.589 ( 0.977 1.835 -5.038) 5.450 4.792 ( 3.159 -3.888 0.964) 5.102 4.792 ( 3.159 3.888 0.964) 5.102 5.018 ( -1.780 -1.614 -3.278) 4.064 5.018 ( -1.780 1.614 -3.278) 4.064 5.163 ( 0.517 -3.170 -0.354) 3.231 5.163 ( 0.517 3.170 -0.354) 3.231 5.261 ( 2.081 -1.525 -0.642) 2.659 5.261 ( 2.081 1.525 -0.642) 2.659 5.449 ( -1.226 -4.607 2.781) 5.519 5.449 ( -1.226 4.607 2.781) 5.519 5.532 ( -1.729 -7.339 -0.188) 7.542 5.532 ( -1.729 7.339 -0.188) 7.542 5.807 ( -1.574 -0.832 4.121) 4.489 5.807 ( -1.574 0.832 4.121) 4.489 6.290 ( 1.907 -2.944 1.026) 3.655 6.290 ( 1.907 2.944 1.026) 3.655 6.368 ( -2.189 -1.818 1.665) 3.296 6.368 ( -2.189 1.818 1.665) 3.296 6.604 ( -0.770 -1.805 1.212) 2.306 6.604 ( -0.770 1.805 1.212) 2.306 6.773 ( 3.027 -0.477 -3.365) 4.551 6.773 ( 3.027 0.477 -3.365) 4.551 6.931 ( -3.567 -4.393 1.951) 5.985 6.931 ( -3.567 4.393 1.951) 5.985 7.155 ( 4.044 -0.925 -9.190) 10.083 7.155 ( 4.044 0.925 -9.190) 10.083 7.670 ( -1.348 -0.709 6.699) 6.870 7.670 ( -1.348 0.709 6.699) 6.870 7.824 ( -2.047 -2.949 2.265) 4.245 7.824 ( -2.047 2.949 2.265) 4.245 7.873 ( 1.212 -2.283 2.233) 3.416 7.873 ( 1.212 2.283 2.233) 3.416 8.147 ( 2.197 -3.059 -7.745) 8.612 8.147 ( 2.197 3.059 -7.745) 8.612 8.459 ( -2.177 -3.847 1.614) 4.706 8.459 ( -2.177 3.847 1.614) 4.706 8.613 ( 0.349 -1.359 -6.668) 6.814 8.613 ( 0.349 1.359 -6.668) 6.814 9.076 ( 0.635 -1.548 6.193) 6.415 9.076 ( 0.635 1.548 6.193) 6.415 9.230 ( 1.359 -1.915 2.486) 3.420 9.230 ( 1.359 1.915 2.486) 3.420 9.562 ( -2.510 -1.111 2.909) 4.000 9.562 ( -2.510 1.111 2.909) 4.000 9.872 ( 0.573 -0.762 -4.981) 5.072 9.872 ( 0.573 0.762 -4.981) 5.072 10.215 ( -1.646 -1.391 1.380) 2.559 10.215 ( -1.646 1.391 1.380) 2.559 10.655 ( 1.298 -2.545 -0.208) 2.865 10.655 ( 1.298 2.545 -0.208) 2.865 10.812 ( -0.651 -1.307 1.339) 1.981 10.812 ( -0.651 1.307 1.339) 1.981 11.109 ( -0.055 -2.239 2.268) 3.188 11.109 ( -0.055 2.239 2.268) 3.188 11.559 ( -1.257 -1.198 -1.180) 2.099 11.559 ( -1.257 1.198 -1.180) 2.099 11.738 ( 1.269 -3.307 -3.081) 4.695 11.738 ( 1.269 3.307 -3.081) 4.695 12.078 ( -4.419 -1.379 -0.961) 4.728 12.078 ( -4.419 1.379 -0.961) 4.728 12.274 ( 5.691 -0.511 5.140) 7.686 12.274 ( 5.691 0.511 5.140) 7.686 12.489 ( -3.020 -0.159 1.584) 3.414 12.489 ( -3.020 0.159 1.584) 3.414 12.679 ( 1.901 -2.678 -3.462) 4.772 12.679 ( 1.901 2.678 -3.462) 4.772 12.877 ( 2.075 -2.314 0.150) 3.112 12.877 ( 2.075 2.314 0.150) 3.112 13.337 ( 0.394 -0.619 -0.008) 0.734 13.337 ( 0.394 0.619 -0.008) 0.734 13.983 ( -4.557 -1.953 0.392) 4.974 13.983 ( -4.557 1.953 0.392) 4.974 14.030 ( 3.360 -0.422 -1.275) 3.618 14.030 ( 3.360 0.422 -1.275) 3.618 15.516 ( 1.695 -8.300 1.915) 8.685 15.516 ( 1.695 8.300 1.915) 8.685 15.585 ( -0.380 -9.303 -3.520) 9.954 15.585 ( -0.380 9.303 -3.520) 9.954 16.021 ( -2.348 -0.574 2.184) 3.257 16.021 ( -2.348 0.574 2.184) 3.257 16.568 ( 0.520 -1.014 -0.044) 1.141 16.568 ( 0.520 1.014 -0.044) 1.141 17.635 ( -0.010 -1.205 -0.107) 1.210 17.635 ( -0.010 1.205 -0.107) 1.210 20.821 ( 0.862 -9.057 2.706) 9.492 20.821 ( 0.862 9.057 2.706) 9.492 21.777 ( -0.758 -4.005 6.239) 7.452 21.777 ( -0.758 4.005 6.239) 7.452 21.930 ( 0.265 -7.426 -5.604) 9.307 21.930 ( 0.265 7.426 -5.604) 9.307 23.425 ( -1.472 -8.669 2.123) 9.046 23.425 ( -1.472 8.669 2.123) 9.046 23.492 ( 0.683 -6.026 -2.938) 6.738 23.492 ( 0.683 6.026 -2.938) 6.738 24.062 ( 1.820 -3.574 1.737) 4.371 24.062 ( 1.820 3.574 1.737) 4.371 25.054 ( 1.398 -2.178 -2.852) 3.852 25.054 ( 1.398 2.178 -2.852) 3.852 25.765 ( -4.320 -5.492 6.521) 9.558 25.765 ( -4.320 5.492 6.521) 9.558 26.170 ( 2.593 -3.473 -3.494) 5.567 26.170 ( 2.593 3.473 -3.494) 5.567 27.024 ( -1.272 -3.490 2.454) 4.452 27.024 ( -1.272 3.490 2.454) 4.452 27.168 ( 1.019 -1.392 -2.960) 3.426 27.168 ( 1.019 1.392 -2.960) 3.426 27.849 ( -0.464 -2.527 0.086) 2.571 27.849 ( -0.464 2.527 0.086) 2.571 28.084 ( 0.334 -0.394 -0.292) 0.594 28.084 ( 0.334 0.394 -0.292) 0.594 ======================= Grid point 112 (56/64) ======================= q-point: ( 0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -2.810 -16.456 8.454) 18.713 1.242 ( -2.810 16.456 8.454) 18.713 1.677 ( 0.294 -14.786 15.895) 21.710 1.677 ( 0.294 14.786 15.895) 21.710 1.762 ( 0.082 -4.630 -8.735) 9.887 1.762 ( 0.082 4.630 -8.735) 9.887 2.319 ( 6.649 -7.028 -5.600) 11.179 2.319 ( 6.649 7.028 -5.600) 11.179 2.442 ( 10.299 -7.442 -5.738) 13.942 2.442 ( 10.299 7.442 -5.738) 13.942 2.723 ( 6.476 -4.561 -2.229) 8.229 2.723 ( 6.476 4.561 -2.229) 8.229 2.800 ( 4.034 -5.533 -2.043) 7.145 2.800 ( 4.034 5.533 -2.043) 7.145 2.933 ( 7.891 -3.284 2.600) 8.934 2.933 ( 7.891 3.284 2.600) 8.934 3.240 ( 2.081 -1.513 0.674) 2.660 3.240 ( 2.081 1.513 0.674) 2.660 3.429 ( 0.270 -3.746 2.849) 4.714 3.429 ( 0.270 3.746 2.849) 4.714 3.551 ( 3.135 -0.759 2.714) 4.215 3.551 ( 3.135 0.759 2.714) 4.215 3.818 ( 4.241 -3.660 -5.615) 7.932 3.818 ( 4.241 3.660 -5.615) 7.932 3.915 ( -2.871 -2.141 -0.067) 3.583 3.915 ( -2.871 2.141 -0.067) 3.583 4.058 ( 1.372 -1.956 2.723) 3.623 4.058 ( 1.372 1.956 2.723) 3.623 4.222 ( 0.122 -4.461 1.705) 4.777 4.222 ( 0.122 4.461 1.705) 4.777 4.440 ( 1.456 -0.798 2.630) 3.110 4.440 ( 1.456 0.798 2.630) 3.110 4.615 ( 3.316 -4.472 -5.049) 7.516 4.615 ( 3.316 4.472 -5.049) 7.516 4.850 ( 3.244 -4.398 -2.607) 6.055 4.850 ( 3.244 4.398 -2.607) 6.055 5.000 ( -1.667 -4.826 0.140) 5.108 5.000 ( -1.667 4.826 0.140) 5.108 5.102 ( -2.941 -3.025 1.143) 4.371 5.102 ( -2.941 3.025 1.143) 4.371 5.310 ( 1.847 -3.036 -2.810) 4.530 5.310 ( 1.847 3.036 -2.810) 4.530 5.407 ( -3.521 -3.841 2.198) 5.655 5.407 ( -3.521 3.841 2.198) 5.655 5.527 ( 0.573 -4.754 3.771) 6.095 5.527 ( 0.573 4.754 3.771) 6.095 5.817 ( 1.100 -2.297 1.533) 2.973 5.817 ( 1.100 2.297 1.533) 2.973 6.195 ( -5.254 -4.156 -1.240) 6.813 6.195 ( -5.254 4.156 -1.240) 6.813 6.471 ( 0.343 -2.460 3.104) 3.975 6.471 ( 0.343 2.460 3.104) 3.975 6.554 ( -0.451 -4.225 -0.707) 4.307 6.554 ( -0.451 4.225 -0.707) 4.307 6.810 ( -2.225 -6.103 -1.127) 6.593 6.810 ( -2.225 6.103 -1.127) 6.593 6.958 ( 7.958 -1.038 -1.245) 8.121 6.958 ( 7.958 1.038 -1.245) 8.121 7.241 ( 6.084 -2.860 -7.581) 10.133 7.241 ( 6.084 2.860 -7.581) 10.133 7.615 ( -4.840 -5.972 5.096) 9.223 7.615 ( -4.840 5.972 5.096) 9.223 7.795 ( -1.957 -2.434 1.359) 3.406 7.795 ( -1.957 2.434 1.359) 3.406 7.877 ( -1.291 -1.038 4.472) 4.769 7.877 ( -1.291 1.038 4.472) 4.769 8.164 ( 0.653 -2.565 -4.993) 5.651 8.164 ( 0.653 2.565 -4.993) 5.651 8.388 ( -1.469 -2.026 -2.593) 3.604 8.388 ( -1.469 2.026 -2.593) 3.604 8.658 ( 2.900 -3.914 -0.823) 4.941 8.658 ( 2.900 3.914 -0.823) 4.941 8.951 ( -10.618 -2.031 0.877) 10.846 8.951 ( -10.618 2.031 0.877) 10.846 9.314 ( 1.888 -1.920 2.689) 3.805 9.314 ( 1.888 1.920 2.689) 3.805 9.471 ( -4.612 -1.974 2.365) 5.546 9.471 ( -4.612 1.974 2.365) 5.546 9.928 ( 4.306 -1.118 -2.062) 4.904 9.928 ( 4.306 1.118 -2.062) 4.904 10.196 ( -1.311 -2.334 3.190) 4.165 10.196 ( -1.311 2.334 3.190) 4.165 10.689 ( 1.892 -4.781 -1.003) 5.238 10.689 ( 1.892 4.781 -1.003) 5.238 10.800 ( -1.384 -1.493 1.027) 2.280 10.800 ( -1.384 1.493 1.027) 2.280 11.069 ( -3.684 -2.819 0.922) 4.729 11.069 ( -3.684 2.819 0.922) 4.729 11.489 ( -4.160 -0.763 0.760) 4.298 11.489 ( -4.160 0.763 0.760) 4.298 11.744 ( -0.935 -4.599 -2.842) 5.487 11.744 ( -0.935 4.599 -2.842) 5.487 11.963 ( -6.025 -3.596 1.831) 7.251 11.963 ( -6.025 3.596 1.831) 7.251 12.302 ( -1.194 -3.827 -1.049) 4.144 12.302 ( -1.194 3.827 -1.049) 4.144 12.460 ( 0.323 -0.395 1.917) 1.984 12.460 ( 0.323 0.395 1.917) 1.984 12.741 ( -2.599 -2.495 -0.200) 3.609 12.741 ( -2.599 2.495 -0.200) 3.609 12.855 ( 5.210 -6.078 -4.374) 9.122 12.855 ( 5.210 6.078 -4.374) 9.122 13.440 ( 6.335 -2.375 -1.138) 6.861 13.440 ( 6.335 2.375 -1.138) 6.861 13.822 ( -8.464 -0.930 3.278) 9.124 13.822 ( -8.464 0.930 3.278) 9.124 14.059 ( -1.968 -2.520 -1.177) 3.408 14.059 ( -1.968 2.520 -1.177) 3.408 15.523 ( 0.095 -1.809 -0.446) 1.865 15.523 ( 0.095 1.809 -0.446) 1.865 15.628 ( 0.130 -4.879 -0.258) 4.888 15.628 ( 0.130 4.879 -0.258) 4.888 16.045 ( 6.645 -0.545 0.527) 6.688 16.045 ( 6.645 0.545 0.527) 6.688 17.087 ( 43.667 -5.590 0.400) 44.025 17.087 ( 43.667 5.590 0.400) 44.025 17.613 ( -1.984 -0.368 -0.116) 2.021 17.613 ( -1.984 0.368 -0.116) 2.021 20.720 ( -11.226 -0.797 0.283) 11.257 20.720 ( -11.226 0.797 0.283) 11.257 21.724 ( -5.381 -8.137 2.564) 10.086 21.724 ( -5.381 8.137 2.564) 10.086 21.935 ( 1.714 -7.875 -1.025) 8.124 21.935 ( 1.714 7.875 -1.025) 8.124 23.303 ( -9.700 -7.923 1.884) 12.665 23.303 ( -9.700 7.923 1.884) 12.665 23.409 ( -7.216 -3.930 -1.548) 8.362 23.409 ( -7.216 3.930 -1.548) 8.362 24.093 ( 1.014 -3.973 -2.124) 4.617 24.093 ( 1.014 3.973 -2.124) 4.617 25.108 ( 2.693 -3.049 -1.998) 4.532 25.108 ( 2.693 3.049 -1.998) 4.532 25.716 ( -2.277 -8.592 6.325) 10.909 25.716 ( -2.277 8.592 6.325) 10.909 26.206 ( 1.314 -4.071 -2.971) 5.208 26.206 ( 1.314 4.071 -2.971) 5.208 26.982 ( -2.726 -4.958 2.068) 6.024 26.982 ( -2.726 4.958 2.068) 6.024 27.188 ( 0.935 -3.323 -2.274) 4.134 27.188 ( 0.935 3.323 -2.274) 4.134 27.769 ( -4.984 -8.181 0.343) 9.585 27.769 ( -4.984 8.181 0.343) 9.585 28.167 ( 5.597 -2.141 -0.237) 5.997 28.167 ( 5.597 2.141 -0.237) 5.997 ======================= Grid point 114 (57/64) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 14.005 -11.141 6.488) 19.036 1.394 ( 14.005 11.141 6.488) 19.036 1.788 ( 7.496 -5.068 2.961) 9.520 1.788 ( 7.496 5.068 2.961) 9.520 1.850 ( 8.017 -6.713 2.625) 10.781 1.850 ( 8.017 6.713 2.625) 10.781 2.369 ( 4.664 -9.451 -8.997) 13.857 2.369 ( 4.664 9.451 -8.997) 13.857 2.616 ( 4.823 -7.618 -1.515) 9.143 2.616 ( 4.823 7.618 -1.515) 9.143 2.790 ( 5.926 -1.773 -4.003) 7.368 2.790 ( 5.926 1.773 -4.003) 7.368 2.945 ( 5.103 -2.739 -1.825) 6.073 2.945 ( 5.103 2.739 -1.825) 6.073 3.088 ( 8.522 -0.712 -0.705) 8.581 3.088 ( 8.522 0.712 -0.705) 8.581 3.346 ( 4.171 -5.358 3.399) 7.594 3.346 ( 4.171 5.358 3.399) 7.594 3.512 ( 6.786 -3.042 5.272) 9.116 3.512 ( 6.786 3.042 5.272) 9.116 3.685 ( 6.361 -1.530 2.618) 7.047 3.685 ( 6.361 1.530 2.618) 7.047 3.740 ( -1.841 -6.569 -3.614) 7.720 3.740 ( -1.841 6.569 -3.614) 7.720 3.972 ( 2.822 -3.316 5.817) 7.266 3.972 ( 2.822 3.316 5.817) 7.266 4.073 ( -1.196 -7.860 2.498) 8.333 4.073 ( -1.196 7.860 2.498) 8.333 4.292 ( 5.184 -6.135 1.525) 8.175 4.292 ( 5.184 6.135 1.525) 8.175 4.490 ( 4.479 -3.566 -3.285) 6.601 4.490 ( 4.479 3.566 -3.285) 6.601 4.683 ( 4.138 -2.701 -4.270) 6.531 4.683 ( 4.138 2.701 -4.270) 6.531 4.873 ( -2.821 -2.029 -2.440) 4.246 4.873 ( -2.821 2.029 -2.440) 4.246 4.960 ( 2.955 -8.786 -3.364) 9.861 4.960 ( 2.955 8.786 -3.364) 9.861 5.078 ( -2.300 -1.920 4.138) 5.109 5.078 ( -2.300 1.920 4.138) 5.109 5.303 ( -3.005 -3.585 -1.874) 5.039 5.303 ( -3.005 3.585 -1.874) 5.039 5.363 ( 1.439 -2.871 2.007) 3.787 5.363 ( 1.439 2.871 2.007) 3.787 5.571 ( 1.431 -2.261 2.177) 3.449 5.571 ( 1.431 2.261 2.177) 3.449 5.805 ( -3.043 -1.443 -2.390) 4.129 5.805 ( -3.043 1.443 -2.390) 4.129 6.132 ( 0.271 -4.558 0.154) 4.569 6.132 ( 0.271 4.558 0.154) 4.569 6.393 ( -5.635 -3.636 -0.305) 6.713 6.393 ( -5.635 3.636 -0.305) 6.713 6.510 ( -4.826 -1.025 0.514) 4.960 6.510 ( -4.826 1.025 0.514) 4.960 6.784 ( -1.689 -2.495 2.089) 3.666 6.784 ( -1.689 2.495 2.089) 3.666 7.054 ( 0.333 -1.953 -1.688) 2.603 7.054 ( 0.333 1.953 -1.688) 2.603 7.305 ( 2.023 -0.855 -5.268) 5.707 7.305 ( 2.023 0.855 -5.268) 5.707 7.584 ( 0.008 -3.092 4.873) 5.771 7.584 ( 0.008 3.092 4.873) 5.771 7.728 ( -3.328 -4.667 -1.086) 5.834 7.728 ( -3.328 4.667 -1.086) 5.834 7.890 ( -0.595 -1.150 9.134) 9.225 7.890 ( -0.595 1.150 9.134) 9.225 8.120 ( -1.541 -3.660 -9.423) 10.226 8.120 ( -1.541 3.660 -9.423) 10.226 8.403 ( 2.190 -2.734 -3.498) 4.951 8.403 ( 2.190 2.734 -3.498) 4.951 8.654 ( -5.255 -4.693 2.375) 7.435 8.654 ( -5.255 4.693 2.375) 7.435 8.762 ( -4.991 -2.282 0.132) 5.489 8.762 ( -4.991 2.282 0.132) 5.489 9.276 ( -4.112 -2.482 1.629) 5.071 9.276 ( -4.112 2.482 1.629) 5.071 9.456 ( 0.912 -1.621 0.611) 1.958 9.456 ( 0.912 1.621 0.611) 1.958 9.974 ( -0.028 -2.232 0.336) 2.258 9.974 ( -0.028 2.232 0.336) 2.258 10.162 ( -3.272 -1.307 1.515) 3.835 10.162 ( -3.272 1.307 1.515) 3.835 10.694 ( -2.147 -4.300 2.098) 5.244 10.694 ( -2.147 4.300 2.098) 5.244 10.761 ( -1.924 -2.316 -0.149) 3.015 10.761 ( -1.924 2.316 -0.149) 3.015 11.032 ( 0.222 -1.925 -0.178) 1.946 11.032 ( 0.222 1.925 -0.178) 1.946 11.431 ( -1.795 -0.618 1.969) 2.735 11.431 ( -1.795 0.618 1.969) 2.735 11.655 ( -4.970 -3.852 -4.076) 7.493 11.655 ( -4.970 3.852 -4.076) 7.493 11.877 ( -2.954 -3.398 -0.140) 4.505 11.877 ( -2.954 3.398 -0.140) 4.505 12.284 ( 0.085 -1.876 -3.499) 3.971 12.284 ( 0.085 1.876 -3.499) 3.971 12.452 ( -3.045 -0.450 -0.757) 3.170 12.452 ( -3.045 0.450 -0.757) 3.170 12.721 ( 4.059 -5.389 5.106) 8.461 12.721 ( 4.059 5.389 5.106) 8.461 13.009 ( 7.949 -2.941 -3.725) 9.258 13.009 ( 7.949 2.941 -3.725) 9.258 13.469 ( -3.814 -2.012 0.673) 4.365 13.469 ( -3.814 2.012 0.673) 4.365 13.738 ( -0.774 -2.629 3.173) 4.192 13.738 ( -0.774 2.629 3.173) 4.192 13.963 ( -5.410 -2.401 -2.332) 6.362 13.963 ( -5.410 2.401 -2.332) 6.362 15.515 ( -1.256 -7.584 -1.164) 7.775 15.515 ( -1.256 7.584 -1.164) 7.775 15.607 ( -0.929 -10.909 2.425) 11.214 15.607 ( -0.929 10.909 2.425) 11.214 16.220 ( 9.378 -4.730 -1.073) 10.558 16.220 ( 9.378 4.730 -1.073) 10.558 17.541 ( -3.957 -0.901 -0.004) 4.058 17.541 ( -3.957 0.901 -0.004) 4.058 18.049 ( 43.793 -8.115 0.531) 44.541 18.049 ( 43.793 8.115 0.531) 44.541 20.411 ( -17.427 -3.689 -0.704) 17.827 20.411 ( -17.427 3.689 -0.704) 17.827 21.627 ( -3.753 -7.018 0.140) 7.960 21.627 ( -3.753 7.018 0.140) 7.960 21.973 ( 1.543 -5.725 0.944) 6.004 21.973 ( 1.543 5.725 0.944) 6.004 23.093 ( -10.714 -3.389 -0.326) 11.242 23.093 ( -10.714 3.389 -0.326) 11.242 23.233 ( -9.042 -0.924 0.701) 9.116 23.233 ( -9.042 0.924 0.701) 9.116 24.107 ( 1.941 -4.925 -3.296) 6.236 24.107 ( 1.941 4.925 -3.296) 6.236 25.072 ( -6.324 -2.811 0.536) 6.942 25.072 ( -6.324 2.811 0.536) 6.942 25.728 ( 1.530 -7.733 2.622) 8.308 25.728 ( 1.530 7.733 2.622) 8.308 26.176 ( -3.564 -3.888 -1.512) 5.487 26.176 ( -3.564 3.888 -1.512) 5.487 26.942 ( -1.880 -3.250 1.116) 3.917 26.942 ( -1.880 3.250 1.116) 3.917 27.182 ( -0.697 -5.664 -0.712) 5.750 27.182 ( -0.697 5.664 -0.712) 5.750 27.700 ( -1.666 -8.903 0.068) 9.058 27.700 ( -1.666 8.903 0.068) 9.058 28.263 ( 3.538 -1.525 -0.074) 3.854 28.263 ( 3.538 1.525 -0.074) 3.854 ======================= Grid point 116 (58/64) ======================= q-point: ( 0.30 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 14.733 -7.128 -1.396) 16.426 1.733 ( 14.733 7.128 -1.396) 16.426 1.931 ( 7.036 -5.386 0.437) 8.871 1.931 ( 7.036 5.386 0.437) 8.871 2.112 ( 15.035 -5.763 3.324) 16.441 2.112 ( 15.035 5.763 3.324) 16.441 2.468 ( 5.281 -5.136 0.606) 7.391 2.468 ( 5.281 5.136 0.606) 7.391 2.669 ( 4.115 -5.867 -5.709) 9.163 2.669 ( 4.115 5.867 -5.709) 9.163 2.934 ( 8.350 -1.950 -3.614) 9.305 2.934 ( 8.350 1.950 -3.614) 9.305 3.037 ( 6.202 -3.861 0.842) 7.354 3.037 ( 6.202 3.861 0.842) 7.354 3.225 ( 1.856 -3.430 0.161) 3.904 3.225 ( 1.856 3.430 0.161) 3.904 3.398 ( 2.490 -3.397 0.049) 4.212 3.398 ( 2.490 3.397 0.049) 4.212 3.613 ( 2.415 -3.553 4.268) 6.056 3.613 ( 2.415 3.553 4.268) 6.056 3.714 ( -2.178 -3.886 0.342) 4.468 3.714 ( -2.178 3.886 0.342) 4.468 3.857 ( 8.509 -5.620 2.966) 10.620 3.857 ( 8.509 5.620 2.966) 10.620 4.039 ( -2.604 -2.780 5.043) 6.320 4.039 ( -2.604 2.780 5.043) 6.320 4.136 ( 10.767 -5.501 -1.849) 12.231 4.136 ( 10.767 5.501 -1.849) 12.231 4.339 ( -0.539 -4.087 7.638) 8.679 4.339 ( -0.539 4.087 7.638) 8.679 4.611 ( 6.600 -3.231 -6.227) 9.632 4.611 ( 6.600 3.231 -6.227) 9.632 4.687 ( -2.710 -2.928 -2.574) 4.748 4.687 ( -2.710 2.928 -2.574) 4.748 4.811 ( -2.059 -4.288 -0.695) 4.807 4.811 ( -2.059 4.288 -0.695) 4.807 4.976 ( -0.358 -3.661 -0.469) 3.708 4.976 ( -0.358 3.661 -0.469) 3.708 5.136 ( 5.609 -4.220 -0.466) 7.034 5.136 ( 5.609 4.220 -0.466) 7.034 5.226 ( -1.012 -4.012 -4.998) 6.489 5.226 ( -1.012 4.012 -4.998) 6.489 5.435 ( 3.695 -4.790 -0.556) 6.075 5.435 ( 3.695 4.790 -0.556) 6.075 5.587 ( -0.309 -2.911 3.877) 4.859 5.587 ( -0.309 2.911 3.877) 4.859 5.706 ( -4.840 -2.003 -0.645) 5.278 5.706 ( -4.840 2.003 -0.645) 5.278 6.178 ( 2.676 -3.413 -0.411) 4.356 6.178 ( 2.676 3.413 -0.411) 4.356 6.266 ( -6.336 -4.912 0.412) 8.028 6.266 ( -6.336 4.912 0.412) 8.028 6.399 ( -5.782 -5.040 -3.567) 8.459 6.399 ( -5.782 5.040 -3.567) 8.459 6.712 ( -5.914 -5.803 2.931) 8.789 6.712 ( -5.914 5.803 2.931) 8.789 7.013 ( -2.292 -2.339 2.542) 4.146 7.013 ( -2.292 2.339 2.542) 4.146 7.301 ( -0.409 -0.757 -2.108) 2.277 7.301 ( -0.409 0.757 -2.108) 2.277 7.557 ( -3.948 -3.132 0.781) 5.100 7.557 ( -3.948 3.132 0.781) 5.100 7.719 ( 0.169 -0.719 4.887) 4.943 7.719 ( 0.169 0.719 4.887) 4.943 7.859 ( -4.152 -5.690 4.243) 8.223 7.859 ( -4.152 5.690 4.243) 8.223 8.104 ( 4.386 -3.375 -12.770) 13.918 8.104 ( 4.386 3.375 -12.770) 13.918 8.349 ( -6.236 -3.717 -2.283) 7.610 8.349 ( -6.236 3.717 -2.283) 7.610 8.575 ( -2.530 -1.011 5.195) 5.866 8.575 ( -2.530 1.011 5.195) 5.866 8.732 ( 0.997 -4.743 -1.718) 5.142 8.732 ( 0.997 4.743 -1.718) 5.142 9.219 ( -1.646 -1.300 0.505) 2.157 9.219 ( -1.646 1.300 0.505) 2.157 9.459 ( -1.175 -2.909 1.226) 3.369 9.459 ( -1.175 2.909 1.226) 3.369 9.928 ( -4.684 -5.106 1.594) 7.110 9.928 ( -4.684 5.106 1.594) 7.110 10.098 ( -1.622 -2.175 -1.544) 3.121 10.098 ( -1.622 2.175 -1.544) 3.121 10.650 ( -1.708 -0.182 0.521) 1.795 10.650 ( -1.708 0.182 0.521) 1.795 10.715 ( -3.957 -2.796 4.424) 6.561 10.715 ( -3.957 2.796 4.424) 6.561 11.033 ( -0.365 -1.128 -3.211) 3.423 11.033 ( -0.365 1.128 -3.211) 3.423 11.421 ( -0.512 -2.782 0.036) 2.829 11.421 ( -0.512 2.782 0.036) 2.829 11.596 ( 1.434 -2.725 -1.021) 3.244 11.596 ( 1.434 2.725 -1.021) 3.244 11.817 ( -3.225 -3.234 0.773) 4.632 11.817 ( -3.225 3.234 0.773) 4.632 12.252 ( -3.068 -1.917 -3.221) 4.844 12.252 ( -3.068 1.917 -3.221) 4.844 12.403 ( 1.081 -0.899 -3.104) 3.408 12.403 ( 1.081 0.899 -3.104) 3.408 12.857 ( 3.850 -6.692 6.745) 10.252 12.857 ( 3.850 6.692 6.745) 10.252 13.084 ( 0.538 -3.519 -3.300) 4.854 13.084 ( 0.538 3.519 -3.300) 4.854 13.420 ( 1.145 -1.549 3.113) 3.660 13.420 ( 1.145 1.549 3.113) 3.660 13.721 ( -2.687 -4.557 0.091) 5.291 13.721 ( -2.687 4.557 0.091) 5.291 13.876 ( -2.004 -0.450 -1.998) 2.865 13.876 ( -2.004 0.450 -1.998) 2.865 15.479 ( -1.205 -5.290 -1.031) 5.523 15.479 ( -1.205 5.290 -1.031) 5.523 15.596 ( -1.630 -6.834 2.013) 7.309 15.596 ( -1.630 6.834 2.013) 7.309 16.408 ( 9.303 -4.604 -0.388) 10.387 16.408 ( 9.303 4.604 -0.388) 10.387 17.437 ( -6.000 -0.556 -0.177) 6.028 17.437 ( -6.000 0.556 -0.177) 6.028 18.762 ( 25.609 -5.854 0.570) 26.275 18.762 ( 25.609 5.854 0.570) 26.275 20.070 ( -14.849 -1.826 -0.397) 14.966 20.070 ( -14.849 1.826 -0.397) 14.966 21.594 ( 0.666 -2.515 -0.486) 2.647 21.594 ( 0.666 2.515 -0.486) 2.647 21.991 ( -0.262 -1.541 0.530) 1.650 21.991 ( -0.262 1.541 0.530) 1.650 22.888 ( -8.533 -6.217 -1.244) 10.631 22.888 ( -8.533 6.217 -1.244) 10.631 23.058 ( -8.547 -4.229 1.096) 9.599 23.058 ( -8.547 4.229 1.096) 9.599 24.163 ( 4.598 -4.857 -1.806) 6.928 24.163 ( 4.598 4.857 -1.806) 6.928 24.888 ( -11.025 -2.243 1.138) 11.309 24.888 ( -11.025 2.243 1.138) 11.309 25.773 ( 1.952 -4.807 0.366) 5.201 25.773 ( 1.952 4.807 0.366) 5.201 26.067 ( -6.231 -3.909 -0.321) 7.363 26.067 ( -6.231 3.909 -0.321) 7.363 26.908 ( -1.734 -1.479 0.360) 2.307 26.908 ( -1.734 1.479 0.360) 2.307 27.162 ( -1.115 -4.986 0.196) 5.113 27.162 ( -1.115 4.986 0.196) 5.113 27.696 ( 1.008 -6.383 -0.177) 6.465 27.696 ( 1.008 6.383 -0.177) 6.465 28.306 ( 0.880 -0.961 0.012) 1.303 28.306 ( 0.880 0.961 0.012) 1.303 ======================= Grid point 120 (59/64) ======================= q-point: ( 0.40 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 5.016 -4.697 -0.310) 6.879 1.921 ( 5.016 4.697 -0.310) 6.879 2.071 ( 6.615 -1.751 1.229) 6.952 2.071 ( 6.615 1.752 1.229) 6.952 2.408 ( 7.984 -4.420 -2.893) 9.573 2.408 ( 7.984 4.420 -2.893) 9.573 2.583 ( 9.204 -1.327 2.575) 9.650 2.583 ( 9.205 1.327 2.575) 9.650 2.748 ( 2.897 -0.801 -1.416) 3.323 2.748 ( 2.897 0.801 -1.416) 3.323 3.012 ( 0.886 -2.480 -5.203) 5.831 3.012 ( 0.886 2.480 -5.203) 5.831 3.210 ( 0.316 -1.463 4.975) 5.196 3.210 ( 0.316 1.463 4.975) 5.196 3.257 ( 9.404 -4.102 -2.015) 10.456 3.257 ( 9.404 4.102 -2.015) 10.456 3.387 ( -2.982 -1.146 4.215) 5.289 3.387 ( -2.982 1.146 4.215) 5.289 3.623 ( 1.158 -2.684 -0.059) 2.923 3.623 ( 1.158 2.684 -0.059) 2.923 3.772 ( 2.885 -1.169 -1.721) 3.557 3.772 ( 2.885 1.169 -1.721) 3.557 3.919 ( -2.601 -3.381 0.792) 4.338 3.919 ( -2.600 3.381 0.792) 4.338 4.056 ( 7.038 -3.289 3.118) 8.371 4.056 ( 7.038 3.289 3.118) 8.371 4.292 ( 1.467 -3.370 3.705) 5.219 4.292 ( 1.467 3.370 3.705) 5.219 4.428 ( 6.503 -2.094 -0.291) 6.838 4.428 ( 6.503 2.094 -0.291) 6.838 4.557 ( -5.711 -3.207 -2.177) 6.902 4.557 ( -5.711 3.207 -2.177) 6.902 4.696 ( 0.953 -3.747 0.514) 3.901 4.696 ( 0.953 3.747 0.514) 3.901 4.792 ( 0.976 -4.812 0.818) 4.977 4.792 ( 0.976 4.812 0.818) 4.978 4.980 ( 0.382 -1.433 -2.912) 3.268 4.980 ( 0.382 1.433 -2.912) 3.268 5.135 ( -1.458 -3.820 0.883) 4.183 5.135 ( -1.458 3.820 0.883) 4.183 5.288 ( 3.436 -3.431 -6.074) 7.776 5.288 ( 3.436 3.431 -6.074) 7.776 5.481 ( 0.802 -5.153 -0.382) 5.229 5.481 ( 0.802 5.153 -0.382) 5.229 5.572 ( -1.346 -2.600 2.947) 4.154 5.572 ( -1.346 2.600 2.947) 4.154 5.672 ( 0.817 -2.995 0.380) 3.127 5.672 ( 0.817 2.995 0.380) 3.127 6.109 ( -6.627 -4.923 -0.338) 8.263 6.109 ( -6.627 4.923 -0.338) 8.263 6.209 ( -5.339 -10.282 -5.905) 13.004 6.209 ( -5.339 10.282 -5.905) 13.004 6.297 ( 2.746 -4.697 -0.118) 5.442 6.297 ( 2.746 4.697 -0.118) 5.442 6.613 ( -4.564 -3.541 4.517) 7.333 6.613 ( -4.564 3.541 4.517) 7.333 7.015 ( 0.908 -0.365 4.630) 4.733 7.015 ( 0.908 0.365 4.630) 4.733 7.284 ( -0.497 -2.825 -2.818) 4.021 7.284 ( -0.497 2.825 -2.818) 4.021 7.472 ( -4.478 -2.505 3.722) 6.339 7.472 ( -4.478 2.505 3.722) 6.339 7.678 ( -4.246 -4.097 2.399) 6.369 7.678 ( -4.246 4.097 2.399) 6.369 7.847 ( 1.500 -7.488 -0.449) 7.649 7.847 ( 1.500 7.488 -0.449) 7.649 8.129 ( -1.087 -0.113 -4.089) 4.232 8.129 ( -1.087 0.113 -4.089) 4.232 8.249 ( -0.098 -2.021 -5.195) 5.575 8.249 ( -0.098 2.021 -5.195) 5.575 8.530 ( -2.986 -2.080 2.073) 4.188 8.530 ( -2.986 2.080 2.073) 4.188 8.777 ( 3.449 -3.998 -1.878) 5.604 8.777 ( 3.449 3.998 -1.878) 5.604 9.199 ( -1.006 -1.250 0.108) 1.608 9.199 ( -1.006 1.250 0.108) 1.608 9.429 ( -2.000 -4.544 3.959) 6.350 9.429 ( -2.000 4.544 3.959) 6.350 9.835 ( -3.416 -5.970 -0.756) 6.919 9.835 ( -3.416 5.970 -0.756) 6.919 10.098 ( 1.283 -3.096 -0.205) 3.357 10.098 ( 1.283 3.096 -0.205) 3.357 10.602 ( -5.938 -2.753 6.965) 9.558 10.602 ( -5.938 2.753 6.965) 9.558 10.672 ( 1.460 -0.964 -2.059) 2.702 10.672 ( 1.460 0.964 -2.059) 2.702 10.993 ( -1.623 -1.337 -5.525) 5.912 10.993 ( -1.623 1.337 -5.525) 5.912 11.399 ( -1.087 -2.798 -0.965) 3.153 11.399 ( -1.087 2.798 -0.965) 3.153 11.650 ( 0.101 -1.051 0.273) 1.091 11.650 ( 0.101 1.051 0.273) 1.091 11.789 ( 2.285 -2.781 2.538) 4.404 11.789 ( 2.285 2.781 2.538) 4.404 12.148 ( -5.360 -1.100 -1.057) 5.573 12.148 ( -5.360 1.100 -1.057) 5.573 12.478 ( 6.463 -2.121 -2.968) 7.422 12.478 ( 6.463 2.121 -2.968) 7.422 12.827 ( -6.983 -5.703 2.840) 9.453 12.827 ( -6.983 5.703 2.840) 9.453 13.118 ( 3.793 -3.782 -1.318) 5.516 13.118 ( 3.793 3.782 -1.318) 5.516 13.506 ( 3.563 -0.781 5.169) 6.326 13.506 ( 3.563 0.781 5.169) 6.326 13.660 ( -1.695 -2.165 -2.691) 3.847 13.660 ( -1.695 2.165 -2.691) 3.847 13.837 ( -1.749 -0.544 -1.289) 2.240 13.837 ( -1.749 0.544 -1.289) 2.240 15.469 ( 0.352 -3.099 -0.051) 3.120 15.469 ( 0.352 3.099 -0.051) 3.120 15.554 ( -2.524 -3.872 0.326) 4.633 15.554 ( -2.524 3.872 0.326) 4.633 16.583 ( 7.255 -3.003 0.493) 7.867 16.583 ( 7.255 3.003 0.493) 7.867 17.309 ( -5.947 -0.815 -0.333) 6.012 17.309 ( -5.947 0.815 -0.333) 6.012 19.116 ( 10.189 -0.997 0.631) 10.257 19.116 ( 10.189 0.997 0.631) 10.257 19.832 ( -8.137 -1.952 -0.769) 8.403 19.832 ( -8.137 1.952 -0.769) 8.403 21.641 ( 3.368 -2.396 -0.116) 4.135 21.641 ( 3.368 2.396 -0.116) 4.135 21.968 ( -1.521 -4.688 -0.747) 4.985 21.968 ( -1.521 4.688 -0.747) 4.985 22.750 ( -5.125 -4.608 1.409) 7.034 22.750 ( -5.125 4.608 1.409) 7.034 22.909 ( -5.512 -3.282 -0.991) 6.492 22.909 ( -5.512 3.282 -0.991) 6.492 24.276 ( 6.657 -4.586 -0.458) 8.097 24.276 ( 6.657 4.586 -0.458) 8.097 24.668 ( -10.400 -3.784 0.625) 11.085 24.668 ( -10.400 3.784 0.625) 11.085 25.805 ( 1.262 -2.543 -0.644) 2.912 25.805 ( 1.262 2.543 -0.644) 2.912 25.948 ( -4.898 -3.700 0.510) 6.160 25.948 ( -4.898 3.700 0.510) 6.160 26.879 ( -1.139 -0.748 0.089) 1.366 26.879 ( -1.139 0.748 0.089) 1.366 27.143 ( -0.712 -2.364 0.306) 2.488 27.143 ( -0.712 2.364 0.306) 2.488 27.723 ( 1.296 -3.150 -0.151) 3.409 27.723 ( 1.296 3.150 -0.151) 3.409 28.309 ( -0.337 -0.567 0.035) 0.660 28.309 ( -0.337 0.567 0.035) 0.660 ======================= Grid point 122 (60/64) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 0.756 -0.775 -0.074) 1.085 1.970 ( 0.756 0.776 -0.074) 1.086 2.200 ( 3.245 -1.730 4.588) 5.880 2.200 ( 3.245 1.730 4.588) 5.880 2.409 ( -4.803 -2.205 -3.493) 6.335 2.409 ( -4.803 2.205 -3.493) 6.335 2.683 ( -4.624 -2.636 3.585) 6.418 2.683 ( -4.624 2.636 3.585) 6.418 2.770 ( 1.759 -1.868 -1.725) 3.092 2.770 ( 1.759 1.868 -1.725) 3.092 2.970 ( -3.939 -1.432 -1.517) 4.457 2.970 ( -3.939 1.432 -1.517) 4.457 3.209 ( -2.754 -1.914 3.809) 5.075 3.209 ( -2.754 1.914 3.809) 5.075 3.307 ( 2.579 -3.236 0.782) 4.211 3.307 ( 2.579 3.236 0.782) 4.211 3.486 ( 7.163 -5.091 -7.319) 11.437 3.486 ( 7.163 5.091 -7.319) 11.437 3.678 ( 2.191 -3.872 2.018) 4.885 3.678 ( 2.191 3.872 2.018) 4.886 3.763 ( 0.579 -2.723 1.377) 3.106 3.763 ( 0.579 2.723 1.377) 3.106 3.941 ( 1.350 -3.058 -0.491) 3.378 3.941 ( 1.350 3.058 -0.491) 3.379 4.172 ( 0.044 -3.728 2.973) 4.768 4.172 ( 0.044 3.728 2.973) 4.768 4.302 ( -2.698 -2.316 -3.542) 5.019 4.302 ( -2.698 2.316 -3.542) 5.019 4.370 ( -1.467 -1.857 0.768) 2.488 4.370 ( -1.467 1.857 0.768) 2.488 4.552 ( 0.920 -0.779 -0.297) 1.241 4.552 ( 0.920 0.779 -0.297) 1.241 4.724 ( 1.567 -3.272 2.228) 4.257 4.724 ( 1.567 3.272 2.228) 4.257 4.822 ( -0.146 -3.747 -0.375) 3.768 4.822 ( -0.146 3.747 -0.375) 3.769 4.948 ( -2.444 -0.470 -1.483) 2.896 4.948 ( -2.444 0.470 -1.482) 2.897 5.140 ( 1.281 -5.668 3.912) 7.005 5.140 ( 1.281 5.668 3.912) 7.005 5.288 ( 0.325 -4.142 -6.691) 7.876 5.288 ( 0.325 4.142 -6.691) 7.876 5.485 ( 0.020 -3.505 6.757) 7.612 5.485 ( 0.020 3.505 6.757) 7.612 5.600 ( -1.306 -4.272 -3.034) 5.401 5.600 ( -1.306 4.272 -3.034) 5.401 5.650 ( 1.604 -2.570 -3.646) 4.741 5.650 ( 1.604 2.570 -3.646) 4.741 6.021 ( -1.455 -4.101 0.778) 4.421 6.021 ( -1.455 4.101 0.778) 4.421 6.105 ( -0.889 -7.538 -5.102) 9.146 6.105 ( -0.889 7.538 -5.102) 9.146 6.383 ( 1.894 -3.976 1.339) 4.603 6.383 ( 1.894 3.976 1.339) 4.603 6.559 ( -1.165 -1.023 3.870) 4.169 6.559 ( -1.164 1.023 3.870) 4.169 7.060 ( 1.606 -1.541 3.798) 4.402 7.060 ( 1.606 1.541 3.798) 4.402 7.253 ( -1.542 -3.054 -2.739) 4.383 7.253 ( -1.542 3.055 -2.739) 4.383 7.435 ( -0.746 -2.585 6.514) 7.048 7.435 ( -0.746 2.585 6.514) 7.048 7.621 ( -0.900 -2.120 -1.807) 2.928 7.621 ( -0.900 2.120 -1.807) 2.928 7.870 ( 0.387 -2.429 0.835) 2.598 7.870 ( 0.387 2.429 0.835) 2.598 8.084 ( -0.755 -0.982 -0.084) 1.241 8.084 ( -0.755 0.982 -0.084) 1.241 8.244 ( -0.222 -2.262 -6.077) 6.488 8.244 ( -0.222 2.262 -6.077) 6.488 8.507 ( 0.946 -3.765 -0.137) 3.884 8.507 ( 0.946 3.765 -0.137) 3.884 8.834 ( 2.826 -3.326 -3.953) 5.889 8.834 ( 2.826 3.326 -3.953) 5.889 9.173 ( -1.439 -2.592 1.323) 3.246 9.173 ( -1.439 2.592 1.323) 3.246 9.429 ( 0.669 -0.370 4.383) 4.449 9.429 ( 0.669 0.370 4.383) 4.449 9.796 ( -0.586 -3.418 -0.841) 3.568 9.796 ( -0.586 3.418 -0.841) 3.568 10.128 ( 1.594 -3.029 -1.398) 3.697 10.128 ( 1.594 3.029 -1.398) 3.698 10.508 ( -5.254 -2.789 9.151) 10.914 10.508 ( -5.253 2.789 9.151) 10.914 10.731 ( 4.459 -2.568 -3.352) 6.141 10.731 ( 4.459 2.568 -3.352) 6.141 10.951 ( 0.573 -1.992 -7.234) 7.525 10.951 ( 0.573 1.992 -7.234) 7.525 11.362 ( -3.069 -2.068 2.553) 4.496 11.362 ( -3.069 2.068 2.553) 4.496 11.629 ( 0.720 -2.969 -1.862) 3.578 11.629 ( 0.720 2.969 -1.862) 3.578 11.851 ( -1.543 -2.690 4.350) 5.342 11.851 ( -1.543 2.690 4.350) 5.342 12.087 ( 1.942 -0.944 -2.016) 2.954 12.087 ( 1.942 0.944 -2.016) 2.954 12.580 ( -0.443 -0.564 -0.052) 0.719 12.580 ( -0.443 0.564 -0.052) 0.719 12.717 ( 0.457 -2.404 -0.125) 2.450 12.717 ( 0.457 2.404 -0.125) 2.450 13.174 ( 1.914 -1.375 -2.778) 3.643 13.174 ( 1.914 1.375 -2.778) 3.643 13.519 ( -4.348 -0.994 8.282) 9.407 13.519 ( -4.348 0.994 8.282) 9.407 13.676 ( 3.482 -0.452 -5.009) 6.118 13.676 ( 3.482 0.452 -5.009) 6.118 13.803 ( -0.725 -1.230 -0.653) 1.570 13.803 ( -0.725 1.230 -0.653) 1.570 15.464 ( -1.942 -4.881 2.055) 5.641 15.464 ( -1.942 4.881 2.055) 5.641 15.537 ( 2.120 -4.596 -2.103) 5.481 15.537 ( 2.120 4.596 -2.103) 5.481 16.664 ( -0.557 -1.730 1.134) 2.142 16.664 ( -0.557 1.730 1.134) 2.142 17.236 ( 0.129 -0.565 -0.517) 0.776 17.236 ( 0.129 0.565 -0.517) 0.776 19.218 ( 0.012 -2.623 0.850) 2.757 19.218 ( 0.012 2.623 0.850) 2.757 19.744 ( 0.114 -1.257 -1.240) 1.769 19.744 ( 0.114 1.257 -1.240) 1.769 21.687 ( 0.178 -0.493 0.444) 0.687 21.687 ( 0.178 0.493 0.444) 0.687 21.951 ( 0.910 -1.950 -2.451) 3.262 21.951 ( 0.910 1.950 -2.451) 3.262 22.688 ( -1.750 -2.096 4.175) 4.989 22.688 ( -1.750 2.096 4.175) 4.989 22.850 ( 0.641 -2.353 -2.508) 3.498 22.850 ( 0.641 2.353 -2.508) 3.498 24.391 ( 0.636 -1.358 0.164) 1.509 24.391 ( 0.636 1.359 0.164) 1.509 24.516 ( -0.570 -0.292 0.086) 0.647 24.516 ( -0.570 0.292 0.086) 0.647 25.816 ( -0.206 -0.306 -0.746) 0.832 25.816 ( -0.206 0.306 -0.746) 0.832 25.896 ( 0.187 -1.537 0.596) 1.659 25.896 ( 0.187 1.537 0.596) 1.659 26.866 ( -0.034 -0.304 0.058) 0.311 26.866 ( -0.034 0.304 0.058) 0.311 27.137 ( 0.091 -0.206 0.224) 0.317 27.137 ( 0.091 0.206 0.224) 0.317 27.737 ( -0.003 -1.148 -0.100) 1.152 27.737 ( -0.003 1.148 -0.100) 1.152 28.304 ( -0.010 -0.272 0.032) 0.274 28.304 ( -0.010 0.272 0.032) 0.274 ======================= Grid point 124 (61/64) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -3.707 -5.604 -2.113) 7.044 1.953 ( -3.707 5.604 -2.113) 7.044 2.113 ( -9.959 -3.378 -1.279) 10.594 2.113 ( -9.959 3.378 -1.279) 10.593 2.306 ( -5.944 -3.046 2.913) 7.287 2.306 ( -5.944 3.046 2.913) 7.287 2.514 ( -10.601 -2.957 5.262) 12.199 2.514 ( -10.601 2.957 5.262) 12.199 2.766 ( -2.181 -2.272 -0.685) 3.223 2.766 ( -2.181 2.272 -0.685) 3.223 2.912 ( -0.901 -2.201 1.246) 2.685 2.912 ( -0.901 2.201 1.246) 2.685 3.191 ( -0.550 -1.103 -0.100) 1.236 3.191 ( -0.550 1.103 -0.100) 1.236 3.303 ( -3.431 -4.006 0.298) 5.283 3.303 ( -3.431 4.006 0.298) 5.283 3.515 ( -5.189 -4.932 -3.867) 8.137 3.515 ( -5.189 4.932 -3.867) 8.137 3.668 ( 1.213 -2.103 -2.058) 3.182 3.668 ( 1.213 2.103 -2.058) 3.182 3.732 ( -8.117 -1.101 0.861) 8.236 3.732 ( -8.117 1.101 0.861) 8.236 4.000 ( 3.980 -6.692 -1.291) 7.893 4.000 ( 3.980 6.692 -1.291) 7.893 4.102 ( -4.210 -1.165 -1.811) 4.729 4.102 ( -4.210 1.165 -1.811) 4.729 4.249 ( 1.148 -1.020 5.436) 5.649 4.249 ( 1.148 1.020 5.436) 5.649 4.400 ( -0.622 -2.890 0.545) 3.006 4.400 ( -0.622 2.890 0.545) 3.006 4.528 ( -3.978 -2.132 0.742) 4.574 4.528 ( -3.978 2.132 0.742) 4.574 4.737 ( -0.767 -4.280 -1.593) 4.631 4.737 ( -0.767 4.280 -1.593) 4.631 4.821 ( 2.677 -4.232 0.763) 5.065 4.821 ( 2.677 4.232 0.763) 5.065 4.902 ( -1.799 -0.661 -0.071) 1.918 4.902 ( -1.799 0.661 -0.071) 1.918 5.169 ( -1.565 -0.170 0.791) 1.762 5.169 ( -1.565 0.170 0.791) 1.762 5.286 ( 1.843 -2.501 -6.990) 7.650 5.286 ( 1.843 2.501 -6.990) 7.650 5.449 ( -3.971 -2.487 0.010) 4.685 5.449 ( -3.971 2.487 0.010) 4.685 5.588 ( 3.651 -3.790 0.252) 5.268 5.588 ( 3.651 3.790 0.252) 5.268 5.742 ( 4.045 -5.235 -1.038) 6.696 5.742 ( 4.045 5.235 -1.038) 6.696 6.029 ( 2.790 -3.500 4.324) 6.223 6.029 ( 2.790 3.500 4.324) 6.223 6.144 ( 4.296 -7.829 -2.478) 9.268 6.144 ( 4.296 7.829 -2.478) 9.268 6.323 ( -4.943 -4.607 -0.873) 6.814 6.323 ( -4.943 4.608 -0.873) 6.814 6.632 ( 4.975 -3.448 2.964) 6.740 6.632 ( 4.975 3.448 2.964) 6.740 7.103 ( 1.896 -1.089 0.026) 2.187 7.103 ( 1.896 1.089 0.026) 2.187 7.218 ( -0.942 -2.313 0.475) 2.542 7.218 ( -0.942 2.313 0.475) 2.542 7.470 ( 1.584 -2.351 5.521) 6.206 7.470 ( 1.584 2.351 5.521) 6.206 7.641 ( 2.642 -0.793 1.694) 3.237 7.641 ( 2.642 0.793 1.694) 3.237 7.863 ( -0.788 -0.968 -1.522) 1.968 7.863 ( -0.788 0.968 -1.522) 1.968 8.104 ( 1.807 -1.989 -0.668) 2.769 8.104 ( 1.807 1.989 -0.668) 2.769 8.218 ( 0.763 -3.130 -3.802) 4.984 8.218 ( 0.763 3.130 -3.802) 4.984 8.548 ( 2.460 -4.977 0.436) 5.569 8.548 ( 2.460 4.977 0.436) 5.569 8.855 ( 1.184 -3.564 -7.049) 7.987 8.855 ( 1.184 3.564 -7.049) 7.987 9.160 ( -0.750 -1.986 3.320) 3.941 9.160 ( -0.750 1.986 3.320) 3.941 9.479 ( 2.472 -5.281 1.424) 6.002 9.479 ( 2.472 5.281 1.424) 6.002 9.806 ( 2.491 -4.308 0.365) 4.990 9.806 ( 2.491 4.308 0.365) 4.990 10.137 ( -0.453 -3.324 -2.553) 4.216 10.137 ( -0.453 3.324 -2.553) 4.216 10.475 ( -0.880 -2.889 8.518) 9.038 10.475 ( -0.880 2.889 8.518) 9.038 10.799 ( 2.881 -3.530 -2.130) 5.030 10.799 ( 2.881 3.530 -2.130) 5.030 10.988 ( 5.327 -3.445 -7.399) 9.746 10.988 ( 5.327 3.445 -7.399) 9.746 11.314 ( -2.366 -3.279 5.306) 6.671 11.314 ( -2.366 3.279 5.306) 6.671 11.666 ( 1.317 -5.492 -1.637) 5.880 11.666 ( 1.317 5.492 -1.637) 5.880 11.782 ( -2.860 -0.746 3.296) 4.427 11.782 ( -2.860 0.746 3.296) 4.427 12.180 ( 5.944 -1.580 -2.489) 6.635 12.180 ( 5.944 1.580 -2.489) 6.635 12.447 ( -8.272 -5.625 -1.375) 10.097 12.447 ( -8.272 5.625 -1.375) 10.097 12.849 ( 7.945 -4.971 1.570) 9.503 12.849 ( 7.945 4.971 1.570) 9.503 13.161 ( -2.208 -2.386 -4.350) 5.431 13.161 ( -2.208 2.386 -4.350) 5.431 13.452 ( -4.171 -1.036 7.294) 8.466 13.452 ( -4.171 1.036 7.294) 8.466 13.702 ( 1.223 -1.853 -3.438) 4.092 13.702 ( 1.223 1.853 -3.438) 4.092 13.819 ( 1.665 -2.253 -0.257) 2.813 13.819 ( 1.665 2.253 -0.257) 2.813 15.436 ( -0.854 -5.487 1.375) 5.720 15.436 ( -0.854 5.487 1.375) 5.720 15.593 ( 3.351 -5.291 -1.478) 6.435 15.593 ( 3.351 5.291 -1.478) 6.435 16.571 ( -7.947 -3.329 1.138) 8.691 16.571 ( -7.947 3.329 1.138) 8.691 17.309 ( 6.065 -2.770 -0.365) 6.678 17.309 ( 6.065 2.770 -0.365) 6.678 19.121 ( -10.142 -4.432 0.352) 11.073 19.121 ( -10.142 4.432 0.352) 11.073 19.830 ( 8.479 -1.053 -0.687) 8.572 19.830 ( 8.479 1.053 -0.687) 8.572 21.657 ( -2.141 -6.934 -0.981) 7.323 21.657 ( -2.141 6.934 -0.981) 7.323 21.970 ( 0.787 -5.279 -0.936) 5.418 21.970 ( 0.787 5.279 -0.936) 5.418 22.721 ( 3.688 -3.605 2.842) 5.888 22.721 ( 3.688 3.605 2.842) 5.888 22.914 ( 6.053 -5.698 -1.056) 8.380 22.914 ( 6.054 5.698 -1.056) 8.380 24.288 ( -6.101 -3.662 -1.161) 7.210 24.288 ( -6.101 3.662 -1.161) 7.210 24.658 ( 9.760 -4.204 1.183) 10.693 24.658 ( 9.760 4.204 1.183) 10.693 25.804 ( -0.246 -2.869 -0.613) 2.944 25.804 ( -0.246 2.869 -0.613) 2.944 25.948 ( 4.033 -1.905 0.499) 4.488 25.948 ( 4.033 1.905 0.499) 4.488 26.879 ( 1.228 -1.382 0.081) 1.850 26.879 ( 1.228 1.382 0.081) 1.850 27.148 ( 0.875 -2.749 0.036) 2.885 27.148 ( 0.875 2.749 0.036) 2.885 27.722 ( -1.356 -2.933 -0.082) 3.232 27.722 ( -1.356 2.933 -0.082) 3.232 28.309 ( 0.323 -0.449 0.039) 0.555 28.309 ( 0.323 0.449 0.039) 0.555 ======================= Grid point 126 (62/64) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -14.257 -12.747 -1.831) 19.212 1.735 ( -14.257 12.747 -1.831) 19.212 1.986 ( -3.978 -1.841 -1.827) 4.748 1.986 ( -3.978 1.841 -1.827) 4.748 2.088 ( -12.744 -4.021 3.636) 13.850 2.088 ( -12.744 4.021 3.636) 13.850 2.401 ( -5.067 -4.408 3.301) 7.483 2.401 ( -5.067 4.408 3.301) 7.483 2.686 ( -4.051 -2.677 -4.399) 6.552 2.686 ( -4.051 2.677 -4.399) 6.552 2.883 ( -3.123 -3.321 0.167) 4.562 2.883 ( -3.123 3.321 0.167) 4.562 3.110 ( -7.449 -2.888 -5.054) 9.454 3.110 ( -7.449 2.888 -5.054) 9.454 3.195 ( -6.291 -2.068 1.886) 6.885 3.195 ( -6.291 2.068 1.886) 6.885 3.363 ( -7.010 -1.092 2.581) 7.550 3.363 ( -7.010 1.092 2.581) 7.550 3.563 ( -5.055 -3.423 2.056) 6.442 3.563 ( -5.055 3.423 2.056) 6.442 3.736 ( 2.250 -7.022 4.274) 8.523 3.736 ( 2.250 7.022 4.274) 8.523 3.904 ( -10.023 -2.487 0.258) 10.330 3.904 ( -10.023 2.487 0.258) 10.330 4.047 ( -5.340 -3.077 1.362) 6.312 4.047 ( -5.340 3.077 1.362) 6.312 4.218 ( -3.196 -1.798 -1.571) 3.989 4.218 ( -3.196 1.798 -1.571) 3.989 4.447 ( -2.608 -1.644 6.830) 7.493 4.447 ( -2.608 1.644 6.830) 7.493 4.504 ( 8.285 -5.024 -7.350) 12.161 4.504 ( 8.285 5.024 -7.350) 12.161 4.690 ( -3.410 -4.950 -3.830) 7.128 4.690 ( -3.410 4.950 -3.830) 7.128 4.815 ( -4.924 -4.151 2.863) 7.048 4.815 ( -4.924 4.151 2.863) 7.048 4.912 ( 2.127 -6.439 -0.719) 6.819 4.912 ( 2.127 6.439 -0.719) 6.819 5.108 ( -1.599 -4.904 1.791) 5.460 5.108 ( -1.599 4.904 1.791) 5.460 5.258 ( -1.843 -3.146 -6.262) 7.246 5.258 ( -1.843 3.146 -6.262) 7.246 5.439 ( 0.732 -4.236 -0.420) 4.320 5.439 ( 0.732 4.236 -0.420) 4.320 5.655 ( 2.685 -2.058 -2.793) 4.387 5.655 ( 2.685 2.058 -2.793) 4.387 5.759 ( 0.422 -6.678 -1.980) 6.978 5.759 ( 0.422 6.678 -1.980) 6.978 6.149 ( -1.228 -4.961 2.234) 5.578 6.149 ( -1.228 4.961 2.234) 5.578 6.209 ( 8.659 -2.416 3.662) 9.707 6.209 ( 8.659 2.416 3.662) 9.707 6.319 ( 5.170 -7.480 0.472) 9.105 6.319 ( 5.170 7.480 0.472) 9.105 6.729 ( 3.560 -1.802 1.795) 4.375 6.729 ( 3.560 1.802 1.795) 4.375 7.140 ( 2.866 -1.896 -6.971) 7.772 7.140 ( 2.866 1.896 -6.971) 7.772 7.221 ( -0.216 -2.101 4.352) 4.837 7.221 ( -0.216 2.101 4.352) 4.837 7.538 ( 3.503 -3.950 4.286) 6.800 7.538 ( 3.503 3.950 4.286) 6.800 7.687 ( -1.209 -3.992 7.520) 8.599 7.687 ( -1.209 3.992 7.520) 8.599 7.859 ( 2.196 -4.285 -4.375) 6.506 7.859 ( 2.196 4.285 -4.375) 6.506 8.129 ( 2.830 -3.964 -6.696) 8.280 8.129 ( 2.830 3.964 -6.696) 8.280 8.249 ( 1.160 -3.612 2.374) 4.475 8.249 ( 1.160 3.612 2.374) 4.475 8.620 ( 4.791 -3.792 1.663) 6.332 8.620 ( 4.791 3.792 1.663) 6.332 8.834 ( -0.243 -3.665 -8.485) 9.246 8.834 ( -0.243 3.665 -8.485) 9.246 9.167 ( 0.260 -1.839 4.567) 4.930 9.167 ( 0.260 1.839 4.567) 4.930 9.509 ( 0.399 -6.958 -1.458) 7.120 9.509 ( 0.399 6.958 -1.458) 7.120 9.927 ( 8.485 -6.921 2.178) 11.164 9.927 ( 8.485 6.921 2.178) 11.164 10.092 ( -2.477 -2.256 -1.910) 3.857 10.092 ( -2.477 2.256 -1.910) 3.857 10.529 ( 2.892 -2.337 6.680) 7.645 10.529 ( 2.892 2.337 6.680) 7.645 10.828 ( 0.479 -4.083 -1.152) 4.270 10.828 ( 0.479 4.083 -1.152) 4.270 11.073 ( 4.368 -4.863 -6.088) 8.933 11.073 ( 4.368 4.863 -6.088) 8.933 11.320 ( 1.139 -3.453 5.733) 6.789 11.320 ( 1.139 3.453 5.733) 6.789 11.620 ( -2.485 -2.356 -2.114) 4.024 11.620 ( -2.485 2.356 -2.114) 4.024 11.827 ( 3.872 -1.948 0.644) 4.382 11.827 ( 3.872 1.948 0.644) 4.382 12.253 ( -0.588 -3.619 -3.279) 4.919 12.253 ( -0.588 3.619 -3.279) 4.919 12.327 ( 0.306 -3.236 1.550) 3.601 12.327 ( 0.306 3.236 1.550) 3.601 12.944 ( -2.586 -1.779 3.292) 4.549 12.944 ( -2.586 1.779 3.292) 4.549 13.083 ( -2.115 -5.613 -5.298) 8.003 13.083 ( -2.115 5.613 -5.298) 8.003 13.428 ( 0.875 -2.081 3.097) 3.832 13.428 ( 0.875 2.081 3.097) 3.832 13.745 ( 4.316 -1.785 -1.069) 4.791 13.745 ( 4.316 1.785 -1.069) 4.791 13.832 ( -0.559 -2.188 0.116) 2.262 13.832 ( -0.559 2.188 0.116) 2.262 15.446 ( 1.327 -6.533 0.911) 6.728 15.446 ( 1.327 6.533 0.911) 6.728 15.645 ( 1.931 -6.034 -0.816) 6.388 15.645 ( 1.931 6.034 -0.816) 6.388 16.391 ( -9.521 -5.222 0.541) 10.873 16.391 ( -9.521 5.222 0.541) 10.873 17.438 ( 6.099 -2.372 -0.216) 6.548 17.438 ( 6.099 2.372 -0.216) 6.548 18.776 ( -25.017 -10.019 -0.178) 26.950 18.776 ( -25.017 10.019 -0.178) 26.950 20.068 ( 14.606 -2.181 -0.273) 14.771 20.068 ( 14.606 2.181 -0.273) 14.771 21.623 ( -0.090 -8.528 -2.297) 8.832 21.623 ( -0.090 8.528 -2.297) 8.832 21.966 ( -1.319 -5.881 2.136) 6.394 21.966 ( -1.319 5.881 2.136) 6.394 22.852 ( 8.500 -6.331 0.794) 10.628 22.852 ( 8.500 6.331 0.794) 10.628 23.072 ( 9.093 -6.928 0.205) 11.434 23.072 ( 9.093 6.928 0.205) 11.434 24.173 ( -4.506 -2.884 -2.412) 5.868 24.173 ( -4.506 2.884 -2.412) 5.868 24.869 ( 9.808 -2.872 2.200) 10.454 24.869 ( 9.808 2.872 2.200) 10.454 25.803 ( 0.441 -5.377 -1.347) 5.561 25.803 ( 0.441 5.377 -1.347) 5.561 26.042 ( 4.388 -2.554 1.100) 5.195 26.042 ( 4.388 2.554 1.100) 5.195 26.914 ( 2.034 -1.821 0.067) 2.731 26.914 ( 2.034 1.821 0.067) 2.731 27.172 ( 1.451 -5.735 -0.352) 5.926 27.172 ( 1.451 5.735 -0.352) 5.926 27.692 ( -1.096 -6.190 0.030) 6.286 27.692 ( -1.096 6.190 0.030) 6.286 28.306 ( -0.933 -0.941 0.034) 1.326 28.306 ( -0.933 0.941 0.034) 1.326 ======================= Grid point 128 (63/64) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -9.167 -14.005 1.508) 16.806 1.469 ( -9.167 14.005 1.508) 16.806 1.820 ( -13.546 -2.605 6.178) 15.114 1.820 ( -13.546 2.605 6.178) 15.114 1.971 ( 1.969 -7.527 -6.400) 10.074 1.971 ( 1.969 7.527 -6.400) 10.074 2.261 ( -7.731 -9.948 -4.776) 13.474 2.261 ( -7.731 9.948 -4.776) 13.474 2.584 ( -7.593 -4.482 0.117) 8.818 2.584 ( -7.593 4.482 0.117) 8.818 2.778 ( -4.877 -2.412 -4.670) 7.171 2.778 ( -4.877 2.412 -4.670) 7.171 2.944 ( -6.302 -3.679 -1.560) 7.463 2.944 ( -6.302 3.679 -1.560) 7.463 3.036 ( -7.758 -2.858 4.861) 9.591 3.036 ( -7.758 2.858 4.861) 9.591 3.322 ( -0.972 -3.828 3.369) 5.191 3.322 ( -0.972 3.828 3.369) 5.191 3.511 ( -6.201 -5.080 4.388) 9.139 3.511 ( -6.201 5.080 4.388) 9.139 3.634 ( -6.835 -7.067 5.501) 11.266 3.634 ( -6.835 7.067 5.501) 11.266 3.754 ( -4.720 -2.084 -4.402) 6.782 3.754 ( -4.720 2.084 -4.402) 6.782 3.970 ( -2.898 -3.594 4.619) 6.531 3.970 ( -2.898 3.594 4.619) 6.531 4.173 ( -1.598 -2.513 0.806) 3.085 4.173 ( -1.598 2.513 0.806) 3.085 4.370 ( -4.012 -1.835 -6.041) 7.481 4.370 ( -4.012 1.835 -6.041) 7.481 4.525 ( -8.173 -3.250 -3.381) 9.423 4.525 ( -8.173 3.250 -3.381) 9.423 4.637 ( 3.467 -3.266 -3.782) 6.082 4.637 ( 3.467 3.266 -3.782) 6.082 4.743 ( -3.106 -3.641 5.605) 7.370 4.743 ( -3.106 3.641 5.605) 7.370 4.960 ( 3.862 -2.714 -0.599) 4.758 4.960 ( 3.862 2.714 -0.599) 4.758 5.146 ( 2.030 -7.756 2.892) 8.523 5.146 ( 2.030 7.756 2.892) 8.523 5.210 ( -0.583 -4.939 -2.245) 5.456 5.210 ( -0.583 4.939 -2.245) 5.456 5.426 ( -1.082 -3.130 0.737) 3.393 5.426 ( -1.082 3.131 0.737) 3.393 5.663 ( -0.150 -3.269 -7.320) 8.019 5.663 ( -0.150 3.269 -7.320) 8.019 5.780 ( 0.828 -4.294 2.770) 5.176 5.780 ( 0.828 4.294 2.770) 5.176 6.135 ( 1.364 -6.032 -0.830) 6.239 6.135 ( 1.364 6.032 -0.830) 6.239 6.381 ( 5.739 -6.747 1.392) 8.966 6.381 ( 5.739 6.747 1.392) 8.966 6.457 ( 6.537 -4.039 2.323) 8.028 6.457 ( 6.537 4.039 2.323) 8.028 6.799 ( 2.851 -4.087 1.514) 5.208 6.799 ( 2.851 4.087 1.514) 5.208 7.121 ( -3.651 -3.817 -7.056) 8.814 7.121 ( -3.651 3.817 -7.056) 8.814 7.222 ( -0.849 -3.461 1.363) 3.816 7.222 ( -0.849 3.461 1.363) 3.816 7.633 ( 1.988 -3.567 7.574) 8.605 7.633 ( 1.988 3.567 7.574) 8.605 7.684 ( 2.491 -3.368 0.063) 4.189 7.684 ( 2.491 3.368 0.063) 4.189 7.876 ( -0.717 -2.664 -0.715) 2.850 7.876 ( -0.717 2.664 -0.715) 2.850 8.169 ( 1.361 -3.842 -5.255) 6.650 8.169 ( 1.361 3.842 -5.255) 6.650 8.292 ( 4.190 -2.633 3.069) 5.823 8.292 ( 4.190 2.633 3.069) 5.823 8.740 ( 4.784 -4.124 -1.519) 6.496 8.740 ( 4.784 4.124 -1.519) 6.496 8.800 ( 1.065 -4.097 -5.552) 6.981 8.800 ( 1.065 4.097 -5.552) 6.981 9.208 ( 1.469 -2.648 6.556) 7.222 9.208 ( 1.469 2.648 6.556) 7.222 9.498 ( -0.240 -5.216 -1.410) 5.409 9.498 ( -0.240 5.216 -1.410) 5.409 10.016 ( -2.059 -5.408 -1.894) 6.089 10.016 ( -2.059 5.408 -1.894) 6.089 10.139 ( 7.603 -5.404 2.518) 9.662 10.139 ( 7.603 5.404 2.518) 9.662 10.605 ( 1.671 -2.068 5.175) 5.818 10.605 ( 1.671 2.068 5.175) 5.818 10.822 ( 0.044 -4.490 -1.801) 4.838 10.822 ( 0.044 4.490 -1.801) 4.838 11.094 ( -0.325 -6.209 -3.127) 6.959 11.094 ( -0.325 6.209 -3.127) 6.959 11.411 ( 5.960 -2.948 3.790) 7.653 11.411 ( 5.960 2.948 3.790) 7.653 11.605 ( 2.199 -2.089 -2.364) 3.845 11.605 ( 2.199 2.089 -2.364) 3.845 11.889 ( 2.464 -3.016 -0.709) 3.959 11.889 ( 2.464 3.016 -0.709) 3.959 12.231 ( 0.995 -2.439 -0.249) 2.646 12.231 ( 0.995 2.439 -0.249) 2.646 12.400 ( 3.843 -0.626 2.134) 4.441 12.400 ( 3.843 0.626 2.134) 4.441 12.817 ( -7.339 -3.962 1.058) 8.407 12.817 ( -7.339 3.962 1.058) 8.407 12.987 ( -6.636 -7.957 -4.083) 11.137 12.987 ( -6.636 7.957 -4.083) 11.137 13.488 ( 1.486 -0.735 -0.284) 1.682 13.488 ( 1.486 0.735 -0.284) 1.682 13.824 ( 1.388 -1.900 -0.474) 2.400 13.824 ( 1.388 1.900 -0.474) 2.400 13.867 ( 7.087 -2.022 1.912) 7.614 13.867 ( 7.087 2.022 1.912) 7.614 15.486 ( 1.974 -8.361 0.645) 8.615 15.486 ( 1.974 8.361 0.645) 8.615 15.660 ( -0.197 -8.881 -0.700) 8.911 15.660 ( -0.197 8.881 -0.700) 8.911 16.203 ( -8.671 -5.638 -0.171) 10.345 16.203 ( -8.671 5.638 -0.171) 10.345 17.543 ( 4.221 -0.338 -0.151) 4.238 17.543 ( 4.221 0.338 -0.151) 4.238 18.073 ( -43.792 -14.015 -0.802) 45.986 18.073 ( -43.792 14.015 -0.802) 45.986 20.391 ( 16.187 -8.531 0.412) 18.303 20.391 ( 16.187 8.531 0.412) 18.303 21.650 ( 3.365 -9.054 -1.240) 9.738 21.650 ( 3.365 9.054 -1.240) 9.738 21.943 ( -1.466 -6.642 2.732) 7.329 21.943 ( -1.466 6.642 2.732) 7.329 23.068 ( 12.158 -4.209 0.906) 12.897 23.068 ( 12.158 4.209 0.906) 12.897 23.260 ( 8.916 -4.987 -0.576) 10.232 23.260 ( 8.916 4.987 -0.576) 10.232 24.087 ( -3.075 -1.693 -2.262) 4.176 24.087 ( -3.075 1.693 -2.262) 4.176 25.038 ( 5.042 -2.960 2.395) 6.318 25.038 ( 5.042 2.960 2.395) 6.318 25.811 ( 0.876 -7.040 -1.851) 7.332 25.811 ( 0.876 7.040 -1.851) 7.332 26.116 ( 2.094 -2.153 1.732) 3.468 26.116 ( 2.094 2.153 1.732) 3.468 26.957 ( 2.086 -1.572 0.358) 2.636 26.957 ( 2.086 1.572 0.358) 2.636 27.194 ( 0.744 -7.390 -1.402) 7.559 27.194 ( 0.744 7.390 -1.402) 7.559 27.697 ( 1.964 -8.783 0.204) 9.002 27.697 ( 1.964 8.783 0.204) 9.002 28.261 ( -3.654 -1.556 0.043) 3.972 28.261 ( -3.654 1.556 0.043) 3.972 ======================= Grid point 130 (64/64) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -0.648 -10.850 -0.208) 10.871 1.410 ( -0.648 10.850 -0.208) 10.871 1.650 ( 0.177 -9.048 4.416) 10.070 1.650 ( 0.177 9.048 4.416) 10.070 1.928 ( -8.966 -10.918 4.371) 14.788 1.928 ( -8.966 10.918 4.371) 14.788 2.159 ( 1.497 -7.644 -10.888) 13.387 2.159 ( 1.497 7.644 -10.888) 13.387 2.349 ( -12.022 -4.186 2.754) 13.024 2.349 ( -12.022 4.186 2.754) 13.024 2.713 ( -1.901 -2.465 -1.652) 3.524 2.713 ( -1.901 2.465 -1.652) 3.524 2.795 ( -7.081 -1.822 -0.186) 7.314 2.795 ( -7.081 1.822 -0.186) 7.314 2.971 ( -2.553 -5.745 -0.207) 6.290 2.971 ( -2.553 5.745 -0.207) 6.290 3.224 ( -5.332 -2.120 2.268) 6.170 3.224 ( -5.332 2.120 2.268) 6.170 3.443 ( -0.521 -5.360 1.706) 5.649 3.443 ( -0.521 5.360 1.706) 5.649 3.572 ( -3.059 -1.278 -0.636) 3.376 3.572 ( -3.059 1.278 -0.637) 3.376 3.697 ( -0.415 -4.558 2.665) 5.296 3.697 ( -0.415 4.558 2.665) 5.296 3.922 ( -1.730 -1.939 1.458) 2.980 3.922 ( -1.730 1.939 1.458) 2.980 4.149 ( -2.109 -4.276 2.392) 5.334 4.149 ( -2.109 4.276 2.392) 5.334 4.260 ( -2.395 -1.216 -9.960) 10.316 4.260 ( -2.395 1.216 -9.960) 10.316 4.432 ( -1.481 -4.649 3.496) 6.002 4.432 ( -1.481 4.649 3.496) 6.002 4.623 ( -2.501 -2.554 -2.167) 4.180 4.623 ( -2.501 2.554 -2.167) 4.180 4.736 ( 0.908 -3.826 3.221) 5.083 4.736 ( 0.908 3.826 3.221) 5.083 5.047 ( 3.306 -2.933 -1.591) 4.698 5.047 ( 3.306 2.933 -1.591) 4.698 5.129 ( -1.233 -5.386 -2.711) 6.155 5.129 ( -1.233 5.386 -2.711) 6.155 5.237 ( 1.118 -3.536 3.025) 4.785 5.237 ( 1.118 3.536 3.025) 4.785 5.434 ( 0.948 -3.849 2.871) 4.894 5.434 ( 0.948 3.849 2.871) 4.894 5.600 ( -3.199 -6.480 -4.827) 8.690 5.600 ( -3.199 6.480 -4.827) 8.690 5.808 ( 0.406 -1.920 4.095) 4.541 5.808 ( 0.406 1.920 4.095) 4.541 6.196 ( 4.468 -5.047 -1.354) 6.876 6.196 ( 4.468 5.047 -1.354) 6.876 6.450 ( -0.635 -7.793 3.069) 8.400 6.450 ( -0.635 7.793 3.069) 8.400 6.555 ( 3.001 -1.894 -0.311) 3.562 6.555 ( 3.001 1.894 -0.311) 3.562 6.826 ( -2.200 -6.839 -1.410) 7.321 6.826 ( -2.200 6.839 -1.410) 7.321 6.984 ( -4.444 -1.730 -2.115) 5.217 6.984 ( -4.444 1.730 -2.115) 5.217 7.178 ( -2.696 -2.690 -4.170) 5.648 7.178 ( -2.696 2.690 -4.170) 5.648 7.654 ( -0.281 -1.439 5.196) 5.399 7.654 ( -0.281 1.439 5.196) 5.399 7.794 ( 5.685 -2.153 -2.120) 6.438 7.794 ( 5.685 2.153 -2.120) 6.438 7.851 ( -1.556 -3.113 5.628) 6.617 7.851 ( -1.556 3.113 5.628) 6.617 8.152 ( -0.306 -3.838 -4.348) 5.808 8.152 ( -0.306 3.838 -4.348) 5.808 8.411 ( 5.316 -4.746 -1.161) 7.221 8.411 ( 5.316 4.746 -1.161) 7.221 8.700 ( -3.806 -2.653 -6.380) 7.888 8.700 ( -3.806 2.653 -6.380) 7.888 8.926 ( 8.255 -3.074 3.161) 9.358 8.926 ( 8.255 3.074 3.161) 9.358 9.241 ( -1.229 -2.630 6.735) 7.334 9.241 ( -1.229 2.630 6.735) 7.334 9.526 ( 3.305 -2.708 -0.125) 4.274 9.526 ( 3.305 2.708 -0.125) 4.274 9.944 ( -4.189 -2.592 -2.644) 5.590 9.944 ( -4.189 2.592 -2.644) 5.590 10.234 ( 0.650 -2.248 0.954) 2.527 10.234 ( 0.650 2.248 0.954) 2.527 10.635 ( 0.618 -1.318 1.941) 2.426 10.635 ( 0.618 1.318 1.941) 2.426 10.821 ( -0.213 -2.804 -0.181) 2.818 10.821 ( -0.213 2.804 -0.181) 2.818 11.085 ( 0.778 -4.382 0.247) 4.457 11.085 ( 0.778 4.382 0.247) 4.457 11.533 ( 4.152 -0.924 -1.920) 4.667 11.533 ( 4.152 0.924 -1.920) 4.667 11.693 ( 4.954 -4.408 0.339) 6.640 11.693 ( 4.954 4.409 0.339) 6.640 11.983 ( 8.737 -3.536 1.337) 9.520 11.983 ( 8.737 3.536 1.337) 9.520 12.238 ( -2.045 -0.996 0.859) 2.431 12.238 ( -2.045 0.996 0.859) 2.431 12.476 ( 2.727 -1.187 1.735) 3.443 12.476 ( 2.727 1.187 1.735) 3.443 12.741 ( -1.285 -1.631 1.357) 2.481 12.741 ( -1.285 1.631 1.357) 2.481 12.824 ( -4.618 -4.167 -4.323) 7.575 12.824 ( -4.618 4.167 -4.323) 7.575 13.426 ( -6.115 -2.039 -0.017) 6.446 13.426 ( -6.115 2.039 -0.017) 6.446 13.903 ( 5.769 -0.554 -1.330) 5.946 13.903 ( 5.769 0.554 -1.330) 5.946 14.008 ( 4.515 -3.224 1.500) 5.747 14.008 ( 4.515 3.224 1.500) 5.747 15.509 ( -0.257 -9.625 0.225) 9.631 15.509 ( -0.257 9.625 0.225) 9.631 15.637 ( -1.887 -11.692 -0.680) 11.863 15.637 ( -1.887 11.692 -0.680) 11.863 16.061 ( -4.357 -4.804 -0.335) 6.494 16.061 ( -4.357 4.804 -0.335) 6.494 17.100 ( -45.352 -7.974 -0.299) 46.048 17.100 ( -45.352 7.974 -0.299) 46.048 17.613 ( 2.166 -1.465 -0.119) 2.618 17.613 ( 2.166 1.465 -0.119) 2.618 20.683 ( 11.089 -13.610 2.351) 17.712 20.683 ( 11.089 13.610 2.351) 17.712 21.730 ( 3.405 -6.177 2.275) 7.412 21.730 ( 3.405 6.177 2.275) 7.412 21.935 ( 0.294 -7.879 -1.030) 7.951 21.935 ( 0.294 7.879 -1.030) 7.951 23.317 ( 10.487 -1.762 1.361) 10.720 23.317 ( 10.487 1.762 1.361) 10.720 23.415 ( 6.651 -2.258 -2.199) 7.360 23.415 ( 6.651 2.258 -2.199) 7.360 24.042 ( -0.797 -1.256 0.655) 1.625 24.042 ( -0.797 1.256 0.655) 1.625 25.075 ( -1.213 -4.051 0.112) 4.230 25.075 ( -1.213 4.051 0.112) 4.230 25.813 ( -1.220 -4.971 1.511) 5.337 25.813 ( -1.220 4.971 1.511) 5.337 26.143 ( 0.874 -1.811 -0.338) 2.039 26.143 ( 0.874 1.811 -0.338) 2.039 27.002 ( 2.001 -1.647 1.206) 2.858 27.002 ( 2.001 1.647 1.206) 2.858 27.184 ( -0.906 -6.023 -2.303) 6.512 27.184 ( -0.906 6.023 -2.303) 6.512 27.776 ( 5.221 -7.609 -0.033) 9.228 27.776 ( 5.221 7.609 -0.033) 9.228 28.162 ( -5.623 -2.245 0.006) 6.054 28.162 ( -5.623 2.245 0.006) 6.054 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/25920 10.0 50.806 51.304 40.019 0.000 1.151 0.000 3/25920 20.0 14.662 9.083 8.363 0.000 0.776 0.000 3/25920 30.0 6.995 3.478 3.555 0.000 0.209 0.000 3/25920 40.0 4.315 1.952 2.134 0.000 0.083 0.000 3/25920 50.0 3.071 1.336 1.523 0.000 0.040 0.000 3/25920 60.0 2.381 1.022 1.199 0.000 0.022 0.000 3/25920 70.0 1.950 0.836 1.003 0.000 0.012 0.000 3/25920 80.0 1.658 0.714 0.873 0.000 0.007 0.000 3/25920 90.0 1.448 0.627 0.780 0.000 0.003 0.000 3/25920 100.0 1.291 0.563 0.710 0.000 0.001 0.000 3/25920 110.0 1.170 0.513 0.655 0.000 0.000 0.000 3/25920 120.0 1.073 0.472 0.611 0.000 -0.001 0.000 3/25920 130.0 0.996 0.439 0.573 0.000 -0.001 0.000 3/25920 140.0 0.932 0.412 0.541 0.000 -0.002 0.000 3/25920 150.0 0.879 0.388 0.513 0.000 -0.002 0.000 3/25920 160.0 0.834 0.368 0.489 0.000 -0.002 0.000 3/25920 170.0 0.795 0.351 0.467 0.000 -0.002 0.000 3/25920 180.0 0.762 0.336 0.448 0.000 -0.002 0.000 3/25920 190.0 0.733 0.322 0.430 0.000 -0.002 0.000 3/25920 200.0 0.707 0.310 0.414 0.000 -0.002 0.000 3/25920 210.0 0.684 0.299 0.399 0.000 -0.002 0.000 3/25920 220.0 0.663 0.289 0.386 0.000 -0.002 0.000 3/25920 230.0 0.644 0.280 0.373 0.000 -0.002 0.000 3/25920 240.0 0.626 0.272 0.362 0.000 -0.002 0.000 3/25920 250.0 0.610 0.264 0.351 0.000 -0.002 0.000 3/25920 260.0 0.594 0.257 0.341 0.000 -0.002 0.000 3/25920 270.0 0.580 0.251 0.331 0.000 -0.002 0.000 3/25920 280.0 0.567 0.245 0.322 0.000 -0.002 0.000 3/25920 290.0 0.554 0.239 0.313 0.000 -0.002 0.000 3/25920 300.0 0.542 0.233 0.305 0.000 -0.002 0.000 3/25920 310.0 0.530 0.228 0.298 0.000 -0.002 0.000 3/25920 320.0 0.519 0.223 0.290 0.000 -0.002 0.000 3/25920 330.0 0.509 0.218 0.283 0.000 -0.002 0.000 3/25920 340.0 0.498 0.214 0.277 0.000 -0.002 0.000 3/25920 350.0 0.489 0.210 0.270 0.000 -0.002 0.000 3/25920 360.0 0.479 0.205 0.264 0.000 -0.002 0.000 3/25920 370.0 0.470 0.202 0.259 0.000 -0.002 0.000 3/25920 380.0 0.461 0.198 0.253 0.000 -0.002 0.000 3/25920 390.0 0.453 0.194 0.248 0.000 -0.002 0.000 3/25920 400.0 0.445 0.191 0.243 0.000 -0.002 0.000 3/25920 410.0 0.437 0.187 0.238 0.000 -0.002 0.000 3/25920 420.0 0.429 0.184 0.233 0.000 -0.002 0.000 3/25920 430.0 0.422 0.181 0.229 0.000 -0.002 0.000 3/25920 440.0 0.414 0.178 0.224 0.000 -0.002 0.000 3/25920 450.0 0.407 0.175 0.220 0.000 -0.002 0.000 3/25920 460.0 0.401 0.172 0.216 0.000 -0.002 0.000 3/25920 470.0 0.394 0.169 0.212 0.000 -0.002 0.000 3/25920 480.0 0.388 0.166 0.208 0.000 -0.002 0.000 3/25920 490.0 0.382 0.164 0.204 0.000 -0.002 0.000 3/25920 500.0 0.376 0.161 0.201 0.000 -0.002 0.000 3/25920 510.0 0.370 0.159 0.198 0.000 -0.002 0.000 3/25920 520.0 0.364 0.156 0.194 0.000 -0.002 0.000 3/25920 530.0 0.358 0.154 0.191 0.000 -0.002 0.000 3/25920 540.0 0.353 0.151 0.188 0.000 -0.002 0.000 3/25920 550.0 0.348 0.149 0.185 0.000 -0.002 0.000 3/25920 560.0 0.343 0.147 0.182 0.000 -0.002 0.000 3/25920 570.0 0.338 0.145 0.179 0.000 -0.002 0.000 3/25920 580.0 0.333 0.143 0.176 0.000 -0.002 0.000 3/25920 590.0 0.328 0.141 0.174 0.000 -0.002 0.000 3/25920 600.0 0.324 0.139 0.171 0.000 -0.002 0.000 3/25920 610.0 0.319 0.137 0.169 0.000 -0.002 0.000 3/25920 620.0 0.315 0.135 0.166 0.000 -0.002 0.000 3/25920 630.0 0.311 0.133 0.164 0.000 -0.002 0.000 3/25920 640.0 0.306 0.132 0.161 0.000 -0.002 0.000 3/25920 650.0 0.302 0.130 0.159 0.000 -0.002 0.000 3/25920 660.0 0.298 0.128 0.157 0.000 -0.002 0.000 3/25920 670.0 0.295 0.127 0.155 0.000 -0.002 0.000 3/25920 680.0 0.291 0.125 0.153 0.000 -0.002 0.000 3/25920 690.0 0.287 0.124 0.151 0.000 -0.002 0.000 3/25920 700.0 0.284 0.122 0.149 0.000 -0.002 0.000 3/25920 710.0 0.280 0.121 0.147 0.000 -0.002 0.000 3/25920 720.0 0.277 0.119 0.145 0.000 -0.002 0.000 3/25920 730.0 0.273 0.118 0.143 0.000 -0.002 0.000 3/25920 740.0 0.270 0.116 0.141 0.000 -0.002 0.000 3/25920 750.0 0.267 0.115 0.140 0.000 -0.002 0.000 3/25920 760.0 0.264 0.114 0.138 0.000 -0.002 0.000 3/25920 770.0 0.261 0.112 0.136 0.000 -0.002 0.000 3/25920 780.0 0.258 0.111 0.135 0.000 -0.002 0.000 3/25920 790.0 0.255 0.110 0.133 0.000 -0.002 0.000 3/25920 800.0 0.252 0.109 0.131 0.000 -0.002 0.000 3/25920 810.0 0.249 0.107 0.130 0.000 -0.001 0.000 3/25920 820.0 0.246 0.106 0.128 0.000 -0.001 0.000 3/25920 830.0 0.244 0.105 0.127 0.000 -0.001 0.000 3/25920 840.0 0.241 0.104 0.125 0.000 -0.001 0.000 3/25920 850.0 0.238 0.103 0.124 0.000 -0.001 0.000 3/25920 860.0 0.236 0.102 0.123 0.000 -0.001 0.000 3/25920 870.0 0.233 0.101 0.121 0.000 -0.001 0.000 3/25920 880.0 0.231 0.100 0.120 0.000 -0.001 0.000 3/25920 890.0 0.229 0.099 0.119 0.000 -0.001 0.000 3/25920 900.0 0.226 0.098 0.118 0.000 -0.001 0.000 3/25920 910.0 0.224 0.097 0.116 0.000 -0.001 0.000 3/25920 920.0 0.222 0.096 0.115 0.000 -0.001 0.000 3/25920 930.0 0.220 0.095 0.114 0.000 -0.001 0.000 3/25920 940.0 0.217 0.094 0.113 0.000 -0.001 0.000 3/25920 950.0 0.215 0.093 0.112 0.000 -0.001 0.000 3/25920 960.0 0.213 0.092 0.111 0.000 -0.001 0.000 3/25920 970.0 0.211 0.091 0.109 0.000 -0.001 0.000 3/25920 980.0 0.209 0.090 0.108 0.000 -0.001 0.000 3/25920 990.0 0.207 0.090 0.107 0.000 -0.001 0.000 3/25920 1000.0 0.205 0.089 0.106 0.000 -0.001 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m1063.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:49:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|